Geometry & MOs

Info

ID:	355966
PubChem CID:	127290956
Reduced:	ON5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	333.252861
ΔH_f, kcal/mol:	-31.5
Dipole, Da:	3.35
IP(EA), eV:	-8.63(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(C1)CNC(=O)N2CCN(CC2)CC3=CN(N=C3)C

DOS

IR

Vibrations