Geometry & MOs

Info

ID:	268902
PubChem CID:	103602043
Reduced:	INO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	260.046693
ΔH_f, kcal/mol:	-113.28
Dipole, Da:	3.46
IP(EA), eV:	-9.15(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethoxyethyl)-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CO)NC(=O)C1=C(C=CC(=C1)I)O

DOS

IR

Vibrations