Geometry & MOs

Info

ID:	373292
PubChem CID:	131312800
Reduced:	BrNOH8C11 (1)
Stoich.:	ABCD8E11 (1)
Weight, g/mol:	208.055801
ΔH_f, kcal/mol:	8.53
Dipole, Da:	2.35
IP(EA), eV:	-10.16(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-8-methylsulfanyl-3,4-dihydro-1H-naphthalen-2-one

Drug info:

PubChemData

Smile

C1CC2=C(CC1=O)C=CC(=C2Br)C#N

DOS

IR

Vibrations