Geometry & MOs

Info

ID:	312517
PubChem CID:	126606202
Reduced:	FON6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	322.94188
ΔH_f, kcal/mol:	12.16
Dipole, Da:	4.21
IP(EA), eV:	-8.76(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-7-(trifluoromethyl)quinoline

Drug info:

PubChemData

Smile

CC1(CCC1)NC(=O)C2=CNC3=NC=C(N=C23)C(=N)C4=C(C=C(C=C4)F)NC

DOS

IR

Vibrations