Geometry & MOs

Info

ID:	29556
PubChem CID:	835137
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	3.29
Dipole, Da:	5.08
IP(EA), eV:	-8.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)N2C=CC=C2

DOS

IR

Vibrations