Geometry & MOs

Info

ID:	388315
PubChem CID:	134988758
Reduced:	S2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	214.135765
ΔH_f, kcal/mol:	-3.06
Dipole, Da:	3.17
IP(EA), eV:	-8.46(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]but-3-en-1-one

Drug info:

PubChemData

Smile

CC(=CCC(C)(SC)SCC=C)C

DOS

IR

Vibrations