Geometry & MOs

Info

ID:	448409
PubChem CID:	135290703
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	199.099714
ΔH_f, kcal/mol:	26.96
Dipole, Da:	2.59
IP(EA), eV:	-8.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethynyl-2-(2-oxaspiro[3.3]heptan-6-yl)pyridine

Drug info:

PubChemData

Smile

CC12CN(CC(C1=O)(CN(C2)C3=NC=C(C=C3)C#C)C)C4COC4

DOS

IR

Vibrations