Geometry & MOs

Info

ID:	193862
PubChem CID:	78448755
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-104.35
Dipole, Da:	11.98
IP(EA), eV:	-8.81(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxyanilino)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CC=N2

DOS

IR

Vibrations