Geometry & MOs

Info

ID:	272966
PubChem CID:	103769268
Reduced:	NO2S2C10H19 (1)
Stoich.:	AB2C2D10E19 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-111.54
Dipole, Da:	5.91
IP(EA), eV:	-8.48(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CCSC1)(CSC)O

DOS

IR

Vibrations