Geometry & MOs

Info

ID:	276807
PubChem CID:	103825346
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	272.083078
ΔH_f, kcal/mol:	-111.75
Dipole, Da:	4.3
IP(EA), eV:	-9.27(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=CC=CC=C1OCC=C

DOS

IR

Vibrations