Geometry & MOs

Info

ID:	9865
PubChem CID:	94069
Reduced:	N2O4H14C21 (1)
Stoich.:	A2B4C14D21 (1)
Weight, g/mol:	358.095357
ΔH_f, kcal/mol:	-75.25
Dipole, Da:	6.77
IP(EA), eV:	-8.46(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-amino-9,10-dioxoanthracen-1-yl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=CC=C(C=C4)C(=O)O)N

DOS

IR

Vibrations