Geometry & MOs

Info

ID:	160566
PubChem CID:	57389061
Reduced:	ClON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	279.123484
ΔH_f, kcal/mol:	25.66
Dipole, Da:	4.57
IP(EA), eV:	-8.98(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-tert-butylphenyl)-fluoromethyl]-3,5-difluoropyridine

Drug info:

PubChemData

Smile

C1CC12CC3=NC(=NC=C3C(=O)C2)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations