Geometry & MOs

Info

ID:	203151
PubChem CID:	79785493
Reduced:	INOF3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	367.01816
ΔH_f, kcal/mol:	-181.76
Dipole, Da:	3.64
IP(EA), eV:	-9.11(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-iodo-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C2=C1C=C(C=C2)I)CCC(F)(F)F

DOS

IR

Vibrations