Geometry & MOs

Info

ID:	371244
PubChem CID:	127344464
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	387.146203
ΔH_f, kcal/mol:	-137.0
Dipole, Da:	2.34
IP(EA), eV:	-8.89(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)NC(=O)NCC2CCOC3=CC=CC=C23)C(=O)N

DOS

IR

Vibrations