Geometry & MOs

Info

ID:	399577
PubChem CID:	135041033
Reduced:	BrOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	15.72
Dipole, Da:	3.01
IP(EA), eV:	-9.0(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aS)-8a-(4-methylpentyl)-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione

Drug info:

PubChemData

Smile

CC#CCC/C(=C/CC1=C(C=CC(=C1)Br)O)/C

DOS

IR

Vibrations