Geometry & MOs

Info

ID:	127488
PubChem CID:	51003454
Reduced:	O2F3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	422.24571
ΔH_f, kcal/mol:	-272.65
Dipole, Da:	2.54
IP(EA), eV:	-8.94(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2E,6E)-3,7-dimethyl-8-[(2R)-4-(4-methylpent-3-enyl)-5-oxo-2H-furan-2-yl]octa-2,6-dienyl]-6-methylcyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CCC(C)C1=CC(=CC(=C1O)C(C)CC)C(C(F)(F)F)O

DOS

IR

Vibrations