Geometry & MOs

Info

ID:	425390
PubChem CID:	135126169
Reduced:	ION2F3H8C13 (1)
Stoich.:	ABC2D3E8F13 (1)
Weight, g/mol:	391.96334
ΔH_f, kcal/mol:	-122.52
Dipole, Da:	2.79
IP(EA), eV:	-9.22(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-iodophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)C2=NC=CC(=C2)C(F)(F)F)I

DOS

IR

Vibrations