Geometry & MOs

Info

ID:	359235
PubChem CID:	127297732
Reduced:	ON2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	391.269573
ΔH_f, kcal/mol:	-106.72
Dipole, Da:	5.16
IP(EA), eV:	-9.04(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3-methylcyclohexyl)amino]-2-oxoethyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)NC(=O)CN2CCN(CC2)C(=O)NC3CC3C

DOS

IR

Vibrations