Geometry & MOs

Info

ID:	133621
PubChem CID:	51563851
Reduced:	OSN3C22H30 (1)
Stoich.:	ABC3D22E30 (1)
Weight, g/mol:	365.197751
ΔH_f, kcal/mol:	-9.93
Dipole, Da:	5.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.967145
Charge, e:	1

Chem-info

IUPAC name:

(4S)-1-benzyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

DOS

IR

Vibrations