Geometry & MOs

Info

ID:	351798
PubChem CID:	127282198
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-63.94
Dipole, Da:	7.42
IP(EA), eV:	-8.67(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=CN(C4=CC=CC=C43)C

DOS

IR

Vibrations