Geometry & MOs

Info

ID:	147864
PubChem CID:	53787522
Reduced:	ClOC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	793.69481
ΔH_f, kcal/mol:	-26.64
Dipole, Da:	3.82
IP(EA), eV:	-8.67(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(dimethylamino)-6-methyl-2-(2-octylhexadecoxy)oxan-3-yl] 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)CCCCO)C3=C1C=C(C=C3)Cl

DOS

IR

Vibrations