Geometry & MOs

Info

ID:	372418
PubChem CID:	131297351
Reduced:	BrNO4H8C9 (1)
Stoich.:	ABC4D8E9 (1)
Weight, g/mol:	272.96367
ΔH_f, kcal/mol:	-62.81
Dipole, Da:	5.26
IP(EA), eV:	-10.22(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-6-methyl-4-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Br)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations