Geometry & MOs

Info

ID:	185542
PubChem CID:	77311870
Reduced:	O5N6H20C26 (1)
Stoich.:	A5B6C20D26 (1)
Weight, g/mol:	308.077514
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	6.11
IP(EA), eV:	-8.96(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-diacetyloxy-6-amino-2,3,4,5-tetrahydropyridin-3-yl) acetate;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)NC2=CC=CC3=C2NC(=C3)C(=O)NC4=C(C=C(C=C4)C#N)C5NC(=O)ON5

DOS

IR

Vibrations