Geometry & MOs

Info

ID:	338504
PubChem CID:	127259196
Reduced:	O2H4C5 (3)
Stoich.:	A2B4C5 (3)
Weight, g/mol:	268.096026
ΔH_f, kcal/mol:	-177.1
Dipole, Da:	5.57
IP(EA), eV:	-8.86(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-N-[(8-aminonaphthalen-1-yl)amino]-C-cyanocarbonimidoyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2

DOS

IR

Vibrations