Geometry & MOs

Info

ID:	24055
PubChem CID:	607590
Reduced:	OC15H16 (1)
Stoich.:	AB15C16 (1)
Weight, g/mol:	212.120115
ΔH_f, kcal/mol:	44.43
Dipole, Da:	6.46
IP(EA), eV:	-8.9(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,6,8-trimethylazulen-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC(=C2C(=C1)C)C(=O)C)C

DOS

IR

Vibrations