Geometry & MOs

Info

ID:

161013

PubChem CID:

57390523

Reduced:

O7H34C35 (1)

Stoich.:

A7B34C35 (1)

Weight, g/mol:

524.278741

ΔHf, kcal/mol:

-198.29

Dipole, Da:

1.35

IP(EA), eV:

 -9.01(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[9-[3-(dimethylamino)propoxy]-11-[3-(dimethylamino)propoxyamino]indeno[1,2-c]quinolin-6-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)O)C(/C=C/CC(CCC2=CC=CC=C2)O)C3=CC=C(C=C3)O)O)C(=O)/C=C/C4=CC=C(C=C4)O

DOS

IR

Vibrations