Geometry & MOs

Info

ID:	171712
PubChem CID:	75415787
Reduced:	FO3N4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	292.051778
ΔH_f, kcal/mol:	-26.57
Dipole, Da:	8.28
IP(EA), eV:	-8.93(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyphenyl)methyl]-N-methyl-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

COCCN1C=C(C=N1)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations