Geometry & MOs

Info

ID:	367844
PubChem CID:	127325952
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	22.52
Dipole, Da:	5.95
IP(EA), eV:	-8.74(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations