Geometry & MOs

Info

ID:	165013
PubChem CID:	74485237
Reduced:	N2O3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	341.186518
ΔH_f, kcal/mol:	-40.57
Dipole, Da:	5.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.787679
Charge, e:	1

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-2-(2-phenylpyrrolidin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CC([NH+](C1)CC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

DOS

IR

Vibrations