Geometry & MOs

Info

ID:	360393
PubChem CID:	127301038
Reduced:	OSN6C17H20 (1)
Stoich.:	ABC6D17E20 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	51.96
Dipole, Da:	5.76
IP(EA), eV:	-8.95(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCCC(C1)N2C=NC=N2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations