Geometry & MOs

Info

ID:	52078
PubChem CID:	12014861
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	298.19328
ΔH_f, kcal/mol:	-52.24
Dipole, Da:	2.27
IP(EA), eV:	-9.06(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[(Z)-1H-isochromen-4-ylidenemethyl]but-3-en-1-ol

Drug info:

PubChemData

Smile

C=C(CC(C1=CC=CO1)O)/C=C/2\COCC3=CC=CC=C32

DOS

IR

Vibrations