Geometry & MOs

Info

ID:	337767
PubChem CID:	127258390
Reduced:	O5C14H16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	217.06987
ΔH_f, kcal/mol:	-183.67
Dipole, Da:	6.67
IP(EA), eV:	-9.56(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-[1-amino-2-(methylamino)-2-oxoethylidene]amino]oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO/C=C/CC(CC(=O)O)C(=O)O

DOS

IR

Vibrations