Geometry & MOs

Info

ID:	317327
PubChem CID:	126635999
Reduced:	OC9H14 (1)
Stoich.:	AB9C14 (1)
Weight, g/mol:	902.331564
ΔH_f, kcal/mol:	-44.15
Dipole, Da:	0.98
IP(EA), eV:	-8.64(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,6E)-1-[2-[5-[[4-[(1E,6E)-7-(1H-indol-6-yl)-3,5-dioxohepta-1,6-dienyl]-3-methoxyphenoxy]methyl]pyridin-3-yl]-1H-indol-5-yl]-7-[2-methoxy-4-(pyridin-4-ylmethoxy)phenyl]hepta-1,6-diene-3,5-dione

Drug info:

PubChemData

Smile

CC(C)C1=CCCC=C1O

DOS

IR

Vibrations