Geometry & MOs

Info

ID:	287958
PubChem CID:	104302366
Reduced:	ClON3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	248.017497
ΔH_f, kcal/mol:	37.55
Dipole, Da:	1.57
IP(EA), eV:	-9.49(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(4-chloro-3-methylphenyl)thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=NO2)N)Cl

DOS

IR

Vibrations