Geometry & MOs

Info

ID:	31665
PubChem CID:	855995
Reduced:	O2N5H7C8 (1)
Stoich.:	A2B5C7D8 (1)
Weight, g/mol:	232.067034
ΔH_f, kcal/mol:	98.75
Dipole, Da:	1.17
IP(EA), eV:	-10.53(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-4-methylphenyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C=NN=N2

DOS

IR

Vibrations