Geometry & MOs

Info

ID:	343348
PubChem CID:	127266521
Reduced:	FON2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-71.7
Dipole, Da:	4.4
IP(EA), eV:	-9.07(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

C1CC(CNC1)CCNC(=O)C=CC2=CC(=CC=C2)F

DOS

IR

Vibrations