Geometry & MOs

Info

ID:	165763
PubChem CID:	74594290
Reduced:	ClN2O4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	190.086804
ΔH_f, kcal/mol:	-85.22
Dipole, Da:	2.73
IP(EA), eV:	-8.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(2-phenylethylideneamino)propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC3=CC(=CC4=C3OCOC4)Cl

DOS

IR

Vibrations