Geometry & MOs

Info

ID:	389546
PubChem CID:	134993609
Reduced:	PS2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-58.29
Dipole, Da:	4.51
IP(EA), eV:	-8.79(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-tert-butyl-8a-methyl-2,3-dihydroazulen-1-one

Drug info:

PubChemData

Smile

CCP(=S)(CC)SCC1=CC=CC=C1

DOS

IR

Vibrations