Geometry & MOs

Info

ID:	175923
PubChem CID:	75968708
Reduced:	ON6C21H24 (1)
Stoich.:	AB6C21D24 (1)
Weight, g/mol:	392.125988
ΔH_f, kcal/mol:	44.99
Dipole, Da:	3.27
IP(EA), eV:	-8.59(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[7-(4-acetyloxyphenyl)-3,5-dioxohepta-1,6-dienyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C2=CC3=C(N2CC4=CC=CC=C4C#N)C(=O)N(C=N3)C)N

DOS

IR

Vibrations