Geometry & MOs

Info

ID:	372416
PubChem CID:	131297344
Reduced:	O4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	272.96367
ΔH_f, kcal/mol:	-191.08
Dipole, Da:	1.95
IP(EA), eV:	-10.03(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromo-4-methyl-2-nitrobenzoate

Drug info:

PubChemData

Smile

CC1(COCCC1(C(=O)OC)O)C

DOS

IR

Vibrations