Geometry & MOs

Info

ID:	203144
PubChem CID:	79784442
Reduced:	BrFINOH10C13 (1)
Stoich.:	ABCDEF10G13 (1)
Weight, g/mol:	378.90277
ΔH_f, kcal/mol:	-37.7
Dipole, Da:	2.17
IP(EA), eV:	-9.14(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,6-dichlorophenyl)methyl]-5-iodopyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C=C1I)CC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations