Geometry & MOs

Info

ID:	367843
PubChem CID:	127325951
Reduced:	ON3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-68.0
Dipole, Da:	4.12
IP(EA), eV:	-8.58(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylcyclohexyl)piperazin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3CCN(C3)C

DOS

IR

Vibrations