Geometry & MOs

Info

ID:	176554
PubChem CID:	76066029
Reduced:	N3O3C9H14 (2)
Stoich.:	A3B3C9D14 (2)
Weight, g/mol:	436.17467
ΔH_f, kcal/mol:	-94.36
Dipole, Da:	7.66
IP(EA), eV:	-9.86(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[2-amino-3-oxo-3-[(2-oxo-2-phenylmethoxyethyl)amino]propyl]imidazole-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCCCC(=N)C(CCCC(C(=O)O)N)N

DOS

IR

Vibrations