Geometry & MOs

Info

ID:	229880
PubChem CID:	87569430
Reduced:	N2Cl3O3C10H11 (1)
Stoich.:	A2B3C3D10E11 (1)
Weight, g/mol:	554.282095
ΔH_f, kcal/mol:	-59.76
Dipole, Da:	9.46
IP(EA), eV:	-9.79(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-diphenylbuta-1,3-dien-2-yl 3-(2-phenylethenyl)hept-2-enoate;2-phenylethenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])Cl)OC/C(=C\CN)/Cl.Cl

DOS

IR

Vibrations