Geometry & MOs

Info

ID:	251437
PubChem CID:	103103921
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-111.86
Dipole, Da:	4.95
IP(EA), eV:	-8.77(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-3-[(2-amino-2-oxoethyl)-ethylamino]benzoate

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C(C=C(C=C1)N)C(=O)O

DOS

IR

Vibrations