Geometry & MOs

Info

ID:	207772
PubChem CID:	80447423
Reduced:	NOC12H27 (1)
Stoich.:	ABC12D27 (1)
Weight, g/mol:	286.99795
ΔH_f, kcal/mol:	-91.55
Dipole, Da:	1.78
IP(EA), eV:	-8.61(2.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-2-yl)sulfanyl-3-methylpentan-2-one

Drug info:

PubChemData

Smile

CCCN(CCC)CC(C(C)CC)O

DOS

IR

Vibrations