Geometry & MOs

Info

ID:	167465
PubChem CID:	74832331
Reduced:	ClN3O3C17H24 (1)
Stoich.:	AB3C3D17E24 (1)
Weight, g/mol:	247.059306
ΔH_f, kcal/mol:	-123.86
Dipole, Da:	9.52
IP(EA), eV:	-8.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dioxoimidazolidin-1-yl)iminomethyl]benzoic acid

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1C(=O)NCC2CN3CCCC3CO2)Cl)N

DOS

IR

Vibrations