Geometry & MOs

Info

ID:	269955
PubChem CID:	103621220
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	355.94664
ΔH_f, kcal/mol:	-130.29
Dipole, Da:	5.31
IP(EA), eV:	-9.26(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromothiophen-2-yl)methyl]-3-hydroxy-4-nitrobenzamide

Drug info:

PubChemData

Smile

CN1C=CC(=CC1=O)C(=O)NC2CCCC(C2)O

DOS

IR

Vibrations