Geometry & MOs

Info

ID:	30440
PubChem CID:	841339
Reduced:	OCl2N3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	245.087435
ΔH_f, kcal/mol:	1.18
Dipole, Da:	7.04
IP(EA), eV:	-9.0(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)NC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations