Geometry & MOs

Info

ID:	205701
PubChem CID:	80137323
Reduced:	ClO2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	235.041548
ΔH_f, kcal/mol:	40.51
Dipole, Da:	7.76
IP(EA), eV:	-9.35(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-nitro-6-thiophen-2-ylpyridin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC(=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2Cl

DOS

IR

Vibrations