Geometry & MOs

Info

ID:	245993
PubChem CID:	103034514
Reduced:	O2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	-120.35
Dipole, Da:	4.61
IP(EA), eV:	-9.71(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methoxy-3-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

Drug info:

PubChemData

Smile

CC(C)(CCC1CCCC1=O)OC

DOS

IR

Vibrations