Geometry & MOs

Info

ID:	432524
PubChem CID:	135172657
Reduced:	FO8C36H47 (1)
Stoich.:	AB8C36D47 (1)
Weight, g/mol:	318.183109
ΔH_f, kcal/mol:	-372.21
Dipole, Da:	1.83
IP(EA), eV:	-8.95(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4E)-6-(1-adamantyl)-3,5-dimethoxyhepta-2,4,6-trienoic acid

Drug info:

PubChemData

Smile

C/C=C/CCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC(=CC(=C3)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)F

DOS

IR

Vibrations