Geometry & MOs

Info

ID:	367559
PubChem CID:	127324938
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	354.216809
ΔH_f, kcal/mol:	-79.54
Dipole, Da:	3.06
IP(EA), eV:	-8.53(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)COCC3=NC(=NO3)C

DOS

IR

Vibrations