Geometry & MOs

Info

ID:	441941
PubChem CID:	135246830
Reduced:	BrNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	342.117984
ΔH_f, kcal/mol:	-70.65
Dipole, Da:	1.59
IP(EA), eV:	-9.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-5-[3-(2-methoxy-5-methylphenyl)pyridin-2-yl]oxypyridine

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)OC2=C(C=CC=N2)Br)C(=O)OC

DOS

IR

Vibrations