Geometry & MOs

Info

ID:	351716
PubChem CID:	127282116
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-113.82
Dipole, Da:	2.67
IP(EA), eV:	-9.15(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations