Geometry & MOs

Info

ID:	43492
PubChem CID:	10321385
Reduced:	NO6H25C26 (1)
Stoich.:	AB6C25D26 (1)
Weight, g/mol:	447.147058
ΔH_f, kcal/mol:	-84.66
Dipole, Da:	7.28
IP(EA), eV:	-9.68(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-oxo-2-phenanthren-2-yl-1-phenoxyethyl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H]2[C@H](C=C[C@H](O2)OC3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4

DOS

IR

Vibrations