Geometry & MOs

Info

ID:	170522
PubChem CID:	75247480
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-88.01
Dipole, Da:	2.0
IP(EA), eV:	-9.33(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-3,8,8-trimethyl-3a,4,6,7-tetrahydro-2H-azulen-5-one

Drug info:

PubChemData

Smile

CC(=C1C2CC(C1CC2(C=C)O)(C)CO)C

DOS

IR

Vibrations