Geometry & MOs

Info

ID:	219353
PubChem CID:	85147153
Reduced:	N3O5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-105.28
Dipole, Da:	7.47
IP(EA), eV:	-9.41(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-imidazol-1-yl-1,3-diphenylpropylidene)amino]oxyethoxy]acetic acid

Drug info:

PubChemData

Smile

CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C[N+](=C5)[O-]

DOS

IR

Vibrations