Geometry & MOs

Info

ID:	141447
PubChem CID:	52877876
Reduced:	ON2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	376.260017
ΔH_f, kcal/mol:	-16.8
Dipole, Da:	4.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755254
Charge, e:	1

Chem-info

IUPAC name:

(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CC[NH+]([C@@H](C1)CC2=CC=CC=C2)CC(=O)N

DOS

IR

Vibrations