Geometry & MOs

Info

ID:	318234
PubChem CID:	126649963
Reduced:	SN2O4F8H16C26 (1)
Stoich.:	AB2C4D8E16F26 (1)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	-422.75
Dipole, Da:	8.84
IP(EA), eV:	-9.78(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-9-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenal

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=C(C=CC(=C2)C(F)(F)F)C3CCOC4=C3C=CC(=C4)S(=O)(=O)OC5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations