Geometry & MOs

Info

ID:	175131
PubChem CID:	75859070
Reduced:	N3O3C19H24 (1)
Stoich.:	A3B3C19D24 (1)
Weight, g/mol:	399.228382
ΔH_f, kcal/mol:	-51.34
Dipole, Da:	2.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765018
Charge, e:	1

Chem-info

IUPAC name:

[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CC1C2=CC=CN2CC[NH+]1CC(=O)NC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations