Geometry & MOs

Info

ID:	372419
PubChem CID:	131297360
Reduced:	BrNO4H8C9 (1)
Stoich.:	ABC4D8E9 (1)
Weight, g/mol:	272.96367
ΔH_f, kcal/mol:	-67.58
Dipole, Da:	4.86
IP(EA), eV:	-10.42(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C(=O)OC)Br)[N+](=O)[O-]

DOS

IR

Vibrations