Geometry & MOs

Info

ID:	328196
PubChem CID:	126697533
Reduced:	O4N5C32H61 (1)
Stoich.:	A4B5C32D61 (1)
Weight, g/mol:	276.9386
ΔH_f, kcal/mol:	-220.22
Dipole, Da:	7.26
IP(EA), eV:	-8.68(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-fluoro-2-methyl-5-nitrobenzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)O)CCCN=C(NC#N)N(C)C

DOS

IR

Vibrations