Geometry & MOs

Info

ID:	165509
PubChem CID:	74559536
Reduced:	NO2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	438.214129
ΔH_f, kcal/mol:	-15.28
Dipole, Da:	2.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.276670
Charge, e:	1

Chem-info

IUPAC name:

3,4-dimethoxy-N-[[1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxoindol-3-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)[NH2+]CC2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations