Geometry & MOs

Info

ID:	30308
PubChem CID:	841115
Reduced:	INO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	245.087435
ΔH_f, kcal/mol:	-9.99
Dipole, Da:	5.61
IP(EA), eV:	-8.98(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1I)C#N)OC

DOS

IR

Vibrations