Geometry & MOs

Info

ID:	208163
PubChem CID:	80501735
Reduced:	BrOSN2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	345.92753
ΔH_f, kcal/mol:	18.27
Dipole, Da:	5.39
IP(EA), eV:	-8.48(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one

Drug info:

PubChemData

Smile

C1=CSC=C1CN2C=C(C=C(C2=O)Br)N

DOS

IR

Vibrations