Geometry & MOs

Info

ID:	272702
PubChem CID:	103752097
Reduced:	BrFON2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	359.97212
ΔH_f, kcal/mol:	-44.88
Dipole, Da:	2.77
IP(EA), eV:	-9.59(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2=CC(=NC=C2)Br)F

DOS

IR

Vibrations