Geometry & MOs

Info

ID:	360413
PubChem CID:	127301058
Reduced:	ON6C21H26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	386.150954
ΔH_f, kcal/mol:	48.28
Dipole, Da:	2.91
IP(EA), eV:	-9.06(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)N3CCCC(C3)N4C=C(C=N4)C)C

DOS

IR

Vibrations