Geometry & MOs

Info

ID:	438703
PubChem CID:	135228454
Reduced:	INO4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	226.19328
ΔH_f, kcal/mol:	-104.12
Dipole, Da:	5.9
IP(EA), eV:	-8.59(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-methyl-3-nonylideneoxolan-2-ol

Drug info:

PubChemData

Smile

CCN[C@@H](CC1=CC(=C(C=C1)OC2=CC=C(C=C2)O)I)C(=O)O

DOS

IR

Vibrations