Geometry & MOs

Info

ID:	392679
PubChem CID:	135017593
Reduced:	N2O4H7C10 (2)
Stoich.:	A2B4C7D10 (2)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-15.72
Dipole, Da:	1.26
IP(EA), eV:	-9.83(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-(4-amino-N-(4-aminophenyl)anilino)benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations