Geometry & MOs

Info

ID:	23384
PubChem CID:	603304
Reduced:	Br2O3H16C18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	439.94457
ΔH_f, kcal/mol:	-78.77
Dipole, Da:	2.99
IP(EA), eV:	-9.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-3-oxopropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC(=CC=C1)Br)C(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations