Geometry & MOs

Info

ID:	355965
PubChem CID:	127290955
Reduced:	O2N3C16H31 (1)
Stoich.:	A2B3C16D31 (1)
Weight, g/mol:	333.252861
ΔH_f, kcal/mol:	-127.35
Dipole, Da:	3.55
IP(EA), eV:	-8.49(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylcyclohexyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(C)(C)CNC(=O)NC2CCCOC2

DOS

IR

Vibrations