Geometry & MOs

Info

ID:	11113
PubChem CID:	111069
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-47.37
Dipole, Da:	2.58
IP(EA), eV:	-8.73(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)-2-methylbut-2-en-1-ol

Drug info:

PubChemData

Smile

CC(=CC=C1C2CCC(C2)C1(C)C)CO

DOS

IR

Vibrations