Geometry & MOs

Info

ID:	42386
PubChem CID:	8149499
Reduced:	ON3C17H20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	407.092436
ΔH_f, kcal/mol:	1.28
Dipole, Da:	5.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.797392
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methoxyanilino)-2-(4-methoxyphenyl)indene-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=[NH+]C=CC(=C2)N3CCCC3

DOS

IR

Vibrations