Geometry & MOs

Info

ID:	352784
PubChem CID:	127283873
Reduced:	O2N6C17H28 (1)
Stoich.:	A2B6C17D28 (1)
Weight, g/mol:	319.237211
ΔH_f, kcal/mol:	-73.39
Dipole, Da:	4.85
IP(EA), eV:	-9.54(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylcyclohexyl)-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CCCCC1)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations