Geometry & MOs

Info

ID:	271644
PubChem CID:	103687116
Reduced:	N3O3C11H11 (1)
Stoich.:	A3B3C11D11 (1)
Weight, g/mol:	384.91698
ΔH_f, kcal/mol:	-6.38
Dipole, Da:	5.96
IP(EA), eV:	-9.68(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dibromo-N-(2-hydroxy-2-methylpentyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)C#N

DOS

IR

Vibrations