Geometry & MOs

Info

ID:	351707
PubChem CID:	127282107
Reduced:	N3O4C17H29 (1)
Stoich.:	A3B4C17D29 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-185.99
Dipole, Da:	4.84
IP(EA), eV:	-9.03(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(1-phenylpyrazole-3-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3COCCO3

DOS

IR

Vibrations