Geometry & MOs

Info

ID:	387978
PubChem CID:	134987627
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-34.41
Dipole, Da:	2.72
IP(EA), eV:	-9.03(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-2,3,3a,4,6,7-hexahydro-1H-azulen-5-one

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC(=O)C1CC1)/C)C

DOS

IR

Vibrations