Geometry & MOs

Info

ID:	368863
PubChem CID:	127330833
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	27.74
Dipole, Da:	6.28
IP(EA), eV:	-9.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(CCC=CC2)CN(C1)C(=O)NCC3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations