Geometry & MOs

Info

ID:	338402
PubChem CID:	127259094
Reduced:	NSO3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	209.080041
ΔH_f, kcal/mol:	-96.21
Dipole, Da:	5.31
IP(EA), eV:	-8.02(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CNC2=C1C(=CC=C2)SCOC(=O)C

DOS

IR

Vibrations