Geometry & MOs

Info

ID:	167881
PubChem CID:	74889191
Reduced:	BO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	145.089149
ΔH_f, kcal/mol:	-189.86
Dipole, Da:	3.04
IP(EA), eV:	-9.7(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethynyl-3-propylpyridine

Drug info:

PubChemData

Smile

B(C1=CC=C(C=C1)C(CC)O)(O)O

DOS

IR

Vibrations