Geometry & MOs

Info

ID:	323965
PubChem CID:	126676683
Reduced:	N4C9H9 (2)
Stoich.:	A4B9C9 (2)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	160.92
Dipole, Da:	6.51
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)benzoate

Drug info:

PubChemData

Smile

C1C2=C(CN1)C=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N

DOS

IR

Vibrations