Geometry & MOs

Info

ID:	397609
PubChem CID:	135030465
Reduced:	OH18C20 (1)
Stoich.:	AB18C20 (1)
Weight, g/mol:	420.23006
ΔH_f, kcal/mol:	32.45
Dipole, Da:	1.75
IP(EA), eV:	-9.18(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 2-[(3S)-3,7-dimethyloct-6-enylidene]propanedioate

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C3C=CC1(C=C3)C(C4=CC=CC=C4)O

DOS

IR

Vibrations