Geometry & MOs

Info

ID:	368010
PubChem CID:	127326485
Reduced:	O2N4C19H32 (1)
Stoich.:	A2B4C19D32 (1)
Weight, g/mol:	334.24811
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	6.38
IP(EA), eV:	-8.55(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylcyclohexyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)NCCC3=C(ON=C3C)C

DOS

IR

Vibrations