Geometry & MOs

Info

ID:	166736
PubChem CID:	74727462
Reduced:	BrNO4C25H31 (1)
Stoich.:	ABC4D25E31 (1)
Weight, g/mol:	429.15811
ΔH_f, kcal/mol:	-105.14
Dipole, Da:	12.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.922391
Charge, e:	1

Chem-info

IUPAC name:

6-chloro-1-(pyrrolidin-1-ium-1-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one

Drug info:

PubChemData

Smile

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=CC3=C(C=CC(=C3)Br)OC)C2=O)O)CC(C)C

DOS

IR

Vibrations