Geometry & MOs

Info

ID:	276951
PubChem CID:	103825937
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	171.029584
ΔH_f, kcal/mol:	-34.31
Dipole, Da:	7.81
IP(EA), eV:	-9.26(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethynyl-4-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C#N)CN2CCC(C2)C(=O)N

DOS

IR

Vibrations