Geometry & MOs

Info

ID:	174848
PubChem CID:	75822365
Reduced:	ON4C17H27 (1)
Stoich.:	AB4C17D27 (1)
Weight, g/mol:	404.231122
ΔH_f, kcal/mol:	-0.34
Dipole, Da:	4.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752982
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-5-oxo-N-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(NC(NC1=O)C2=CC=C(C=C2)CN3CC[NH2+]CC3)C

DOS

IR

Vibrations