Geometry & MOs

Info

ID:	367996
PubChem CID:	127326378
Reduced:	ON7C17H27 (1)
Stoich.:	AB7C17D27 (1)
Weight, g/mol:	333.252861
ΔH_f, kcal/mol:	18.74
Dipole, Da:	5.43
IP(EA), eV:	-8.78(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopentylmethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N2CCN(CC2)CC3=C(N(N=C3C)C)C)C

DOS

IR

Vibrations