Geometry & MOs

Info

ID:	45890
PubChem CID:	10518756
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	306.175043
ΔH_f, kcal/mol:	-80.96
Dipole, Da:	4.8
IP(EA), eV:	-8.41(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E,6Z,8E)-7-chloro-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCC[C@@H]1NC(=S)NC2=CC=C(C=C2)C

DOS

IR

Vibrations