Geometry & MOs

Info

ID:	348120
PubChem CID:	127273182
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	18.42
Dipole, Da:	6.94
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylmethyl)-N-[4-(triazol-1-yl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CN2CCC(CC2)NC(=O)NC3=CC=C(C=C3)N4C=CN=N4

DOS

IR

Vibrations