Geometry & MOs

Info

ID:	338409
PubChem CID:	127259101
Reduced:	ClNO3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	219.064391
ΔH_f, kcal/mol:	-117.29
Dipole, Da:	6.06
IP(EA), eV:	-9.42(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-cyanopyridin-2-yl)amino]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(=O)NC1=CC(=CC=C1)Cl

DOS

IR

Vibrations