Geometry & MOs

Info

ID:	291635
PubChem CID:	113454451
Reduced:	BrNOC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	319.02079
ΔH_f, kcal/mol:	-3.13
Dipole, Da:	1.13
IP(EA), eV:	-8.87(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromopyridin-3-yl)-1-(2-ethoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)CC2=NC=C(C=C2)Br)C

DOS

IR

Vibrations