Geometry & MOs

Info

ID:

435713

PubChem CID:

135192236

Reduced:

FO2N3C34H38 (1)

Stoich.:

AB2C3D34E38 (1)

Weight, g/mol:

894.288243

ΔHf, kcal/mol:

-51.25

Dipole, Da:

2.34

IP(EA), eV:

 -7.86(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(9Z)-11-methylidene-12-oxatetracyclo[11.8.0.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaen-10-yl]-2,6-bis(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyrimidine

Drug info:

PubChemData

Smile

CCC1=C2C3=NC(=CN3C=C1C)C4=CC=CC(=C4)C5=C(C=C(C=C5)F)OC(C/C=C/COC6(CCN2CC6)C)C

DOS

IR

Vibrations