Geometry & MOs

Info

ID:	394641
PubChem CID:	135023379
Reduced:	SiO2C19H30 (1)
Stoich.:	AB2C19D30 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	-149.55
Dipole, Da:	3.39
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethyl-2,3,3a,4-tetrahydro-1H-azulen-5-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CCC2C1=CC3=C(CCC3)C(=O)C2

DOS

IR

Vibrations