Geometry & MOs

Info

ID:	448269
PubChem CID:	135289796
Reduced:	O3N6H14C18 (1)
Stoich.:	A3B6C14D18 (1)
Weight, g/mol:	171.029584
ΔH_f, kcal/mol:	9.53
Dipole, Da:	4.07
IP(EA), eV:	-8.88(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethynyl-2-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CN1C(=NC=N1)C(=O)NC2=NC3=C(C=C2)C=C(N3)C4=CC(=CC=C4)C(=O)O

DOS

IR

Vibrations