Geometry & MOs

Info

ID:	288113
PubChem CID:	104311580
Reduced:	NOSBr2H7C11 (1)
Stoich.:	ABCD2E7F11 (1)
Weight, g/mol:	274.99458
ΔH_f, kcal/mol:	29.5
Dipole, Da:	3.34
IP(EA), eV:	-8.95(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-phenylethanone

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)C(=O)CC2=C(C=CS2)Br

DOS

IR

Vibrations