Geometry & MOs

Info

ID:	351778
PubChem CID:	127282178
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-116.67
Dipole, Da:	4.27
IP(EA), eV:	-9.01(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4O3

DOS

IR

Vibrations