Geometry & MOs

Info

ID:	360344
PubChem CID:	127300987
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-79.59
Dipole, Da:	2.77
IP(EA), eV:	-9.02(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)[C@H]3COCC(=O)N3CC4=CC=CC=C4

DOS

IR

Vibrations