Geometry & MOs

Info

ID:	441902
PubChem CID:	135246553
Reduced:	BrON2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	338.159455
ΔH_f, kcal/mol:	20.96
Dipole, Da:	2.28
IP(EA), eV:	-9.01(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-5-[[3-(2-ethylphenyl)pyridin-2-yl]methyl]-3-methylpyridine

Drug info:

PubChemData

Smile

C1CC2=C(C1)N=CC(C2)OC3=C(C=CC=N3)Br

DOS

IR

Vibrations