Geometry & MOs

Info

ID:	30267
PubChem CID:	841061
Reduced:	ClN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	245.087435
ΔH_f, kcal/mol:	-28.75
Dipole, Da:	3.76
IP(EA), eV:	-9.1(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)[C@@H](C)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations