Geometry & MOs

Info

ID:	339132
PubChem CID:	127260511
Reduced:	O2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	347.99972
ΔH_f, kcal/mol:	-120.41
Dipole, Da:	4.11
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetyl-4-bromo-3-methoxyphenyl) benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C)OC(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations