Geometry & MOs

Info

ID:	24273
PubChem CID:	608962
Reduced:	BrO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	314.01537
ΔH_f, kcal/mol:	-158.62
Dipole, Da:	1.28
IP(EA), eV:	-9.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-bromo-3-(4-methylphenyl)butanedioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C(C(=O)OC)Br)C(=O)OC

DOS

IR

Vibrations