Geometry & MOs

Info

ID:	69458
PubChem CID:	47180337
Reduced:	ClO2N4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	296.167083
ΔH_f, kcal/mol:	-78.48
Dipole, Da:	2.66
IP(EA), eV:	-9.13(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,3,5-trimethylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CNC(=O)CN(C)C1=NC=C(C=C1)Cl

DOS

IR

Vibrations