Geometry & MOs

Info

ID:	325644
PubChem CID:	126684307
Reduced:	SO4N7C21H29 (1)
Stoich.:	AB4C7D21E29 (1)
Weight, g/mol:	167.094629
ΔH_f, kcal/mol:	-64.02
Dipole, Da:	7.68
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1,2-dihydropyridin-6-yl)propanoate

Drug info:

PubChemData

Smile

CCCN(CCO)C1=NC(=NC2=C1N=NN2CC3=CC=CC=C3S(=O)(=O)C)N4CCOCC4

DOS

IR

Vibrations