Geometry & MOs

Info

ID:

219606

PubChem CID:

85149463

Reduced:

FO2N5C37H42 (1)

Stoich.:

AB2C5D37E42 (1)

Weight, g/mol:

608.194737

ΔHf, kcal/mol:

-66.24

Dipole, Da:

1.28

IP(EA), eV:

 -8.9(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(4-hydroxyphenyl)-methoxymethyl]-1-[3-[(4-hydroxyphenyl)methylidene]-2-oxo-4H-cyclopenta[b]indol-1-ylidene]-3-methoxy-4H-cyclopenta[b]indol-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N)C(=O)N2CCC(CC2)(CCN3C4CCC3CC(C4)N5C(=NC6=CC=CC=C65)C)C7=CC(=CC=C7)F

DOS

IR

Vibrations