Geometry & MOs

Info

ID:	203143
PubChem CID:	79784283
Reduced:	IN4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	420.89745
ΔH_f, kcal/mol:	66.42
Dipole, Da:	5.3
IP(EA), eV:	-8.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromo-4-fluorophenyl)methyl]-5-iodo-4-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=NN(C=C2)C(C)C)C)I

DOS

IR

Vibrations