Geometry & MOs

Info

ID:	310768
PubChem CID:	126587302
Reduced:	O2H6C7 (3)
Stoich.:	A2B6C7 (3)
Weight, g/mol:	416.183503
ΔH_f, kcal/mol:	-142.7
Dipole, Da:	12.0
IP(EA), eV:	-9.03(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1,5-bis(3,4,5-trimethoxyphenyl)pent-1-en-3-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=C/C(=O)/C=C/C2=CC(=C(C=C2)C=O)O)/O)O

DOS

IR

Vibrations