Geometry & MOs

Info

ID:	410936
PubChem CID:	135083737
Reduced:	ClN2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	38.09
Dipole, Da:	4.86
IP(EA), eV:	-8.34(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-2-ol

Drug info:

PubChemData

Smile

C/C(=N/NC1=CC=C(C=C1)Cl)/CCCC=C

DOS

IR

Vibrations