Geometry & MOs

Info

ID:

378592

PubChem CID:

134224683

Reduced:

FNOC9H16 (1)

Stoich.:

ABCD9E16 (1)

Weight, g/mol:

659.220892

ΔHf, kcal/mol:

-80.87

Dipole, Da:

4.42

IP(EA), eV:

-9.06(0.21)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

22-[13-(3,5-dimethylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl]-18-methoxy-12-oxa-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene

Drug info:

PubChemData

Smile

CC/C=C(\C(=C)C(CNC)O)/F

DOS

IR

Vibrations