Geometry & MOs

Info

ID:	203145
PubChem CID:	79784937
Reduced:	INOCl2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	336.99636
ΔH_f, kcal/mol:	1.64
Dipole, Da:	3.66
IP(EA), eV:	-9.07(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-iodopyridin-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CN2C=C(C=CC2=O)I)Cl

DOS

IR

Vibrations