Geometry & MOs

Info

ID:	288143
PubChem CID:	104311883
Reduced:	NOBr2H7C10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	422.89042
ΔH_f, kcal/mol:	43.63
Dipole, Da:	2.86
IP(EA), eV:	-10.28(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromopyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

C#CCCC(=O)C1=C(C=C(C=N1)Br)Br

DOS

IR

Vibrations