Geometry & MOs

Info

ID:

388430

PubChem CID:

134989147

Reduced:

OC5H7 (2)

Stoich.:

AB5C7 (2)

Weight, g/mol:

999.197882

ΔHf, kcal/mol:

-63.15

Dipole, Da:

2.03

IP(EA), eV:

-9.31(0.14)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

copper;methane;2,5,16,19,22,33,36,39,50,53,56,67,69,71-tetradecaza-70,72-diazanidaheptadecacyclo[52.14.1.13,18.120,35.137,52.04,17.06,15.07,12.021,34.023,32.024,29.038,51.040,49.041,46.055,68.057,66.058,63]doheptaconta-1,3,5,7,9,11,13,15,17,19,21,23(32),24,26,28,30,33,35(71),36,38,40(49),41,43,45,47,50,52,54(69),55,57(66),58,60,62,64,67-pentatriacontaene

Drug info:

PubChemData

Smile

CC(=C)OC(=O)C/C(=C/C=C)/C

DOS

IR

Vibrations