Geometry & MOs

Info

ID:	372417
PubChem CID:	131297350
Reduced:	BrNO4H8C9 (1)
Stoich.:	ABC4D8E9 (1)
Weight, g/mol:	272.96367
ΔH_f, kcal/mol:	-64.67
Dipole, Da:	5.43
IP(EA), eV:	-10.42(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-3-methyl-2-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations