Geometry & MOs

Info

ID:	59673
PubChem CID:	24892964
Reduced:	ClN5C9H14 (1)
Stoich.:	AB5C9D14 (1)
Weight, g/mol:	410.205301
ΔH_f, kcal/mol:	43.86
Dipole, Da:	1.88
IP(EA), eV:	-7.75(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-oxoacetate;(E)-2-[(3-methoxy-2-propoxybenzoyl)amino]ethyl-pentylideneazanium

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)/[NH+]=C(\N)/[NH+]=C(N)N

DOS

IR

Vibrations