Geometry & MOs

Info

ID:	288123
PubChem CID:	104311760
Reduced:	BrNOH14C15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	342.91663
ΔH_f, kcal/mol:	6.59
Dipole, Da:	3.66
IP(EA), eV:	-9.07(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(3,4-dichlorophenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CC(=O)C2=C(C=CC=N2)Br)C

DOS

IR

Vibrations