Geometry & MOs

Info

ID:	365962
PubChem CID:	127319251
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	319.237211
ΔH_f, kcal/mol:	-53.64
Dipole, Da:	4.72
IP(EA), eV:	-9.2(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylethyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)NC(C)C3CCCC3

DOS

IR

Vibrations