Geometry & MOs

Info

ID:	160567
PubChem CID:	57389071
Reduced:	NF3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	261.132906
ΔH_f, kcal/mol:	-104.72
Dipole, Da:	2.63
IP(EA), eV:	-9.49(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-tert-butylphenyl)-fluoromethyl]-3-fluoropyridine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(C2=C(C=NC=C2F)F)F

DOS

IR

Vibrations