Geometry & MOs

Info

ID:	37269
PubChem CID:	8019028
Reduced:	O5H18C20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	376.03102
ΔH_f, kcal/mol:	-99.15
Dipole, Da:	4.02
IP(EA), eV:	-8.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1/C=C/C(=O)C2=CC3=CC=CC=C3O2)OC)OC

DOS

IR

Vibrations