Geometry & MOs

Info

ID:	319008
PubChem CID:	126654109
Reduced:	F2O3N4C24H28 (1)
Stoich.:	A2B3C4D24E28 (1)
Weight, g/mol:	631.423674
ΔH_f, kcal/mol:	-32.23
Dipole, Da:	3.8
IP(EA), eV:	-9.72(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,6E)-1-(4-heptoxy-3-methoxyphenyl)-7-[3-methoxy-4-[6-[[(1Z,3Z)-penta-1,3-dienyl]amino]hexoxy]phenyl]-5-methylhepta-1,6-dien-3-one

Drug info:

PubChemData

Smile

CC1(N=N1)C2=CC=C(C=C2)CCC(COCC(CCC3=CC=C(C=C3)C4(N=N4)C(F)F)O)O

DOS

IR

Vibrations