Geometry & MOs

Info

ID:	229778
PubChem CID:	87568964
Reduced:	C3O3H4 (3)
Stoich.:	A3B3C4 (3)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	-392.25
Dipole, Da:	7.53
IP(EA), eV:	-11.33(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1Z)-1-(3-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

C(CC(=O)O)CC(=O)OC(C(C(=O)O)O)C(=O)O

DOS

IR

Vibrations