Geometry & MOs

Info

ID:	14458
PubChem CID:	412009
Reduced:	BrNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	331.05718
ΔH_f, kcal/mol:	-9.91
Dipole, Da:	7.54
IP(EA), eV:	-8.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-2H-pyridin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C(=O)CN3C=CC=CC3Br

DOS

IR

Vibrations