Geometry & MOs

Info

ID:	370719
PubChem CID:	127339982
Reduced:	O3N5C19H27 (1)
Stoich.:	A3B5C19D27 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-113.63
Dipole, Da:	3.3
IP(EA), eV:	-9.49(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-butan-2-ylphenyl)-4-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations