Geometry & MOs

Info

ID:	319374
PubChem CID:	126655807
Reduced:	NO4H29C44 (1)
Stoich.:	AB4C29D44 (1)
Weight, g/mol:	415.120843
ΔH_f, kcal/mol:	70.98
Dipole, Da:	2.43
IP(EA), eV:	-8.89(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-naphthalen-2-yloxy-2-phenylbenzo[f][1,4]benzoxazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2OC3=C(C(=C4C(=C3)N=C(C(=O)O4)C5=CC=CC=C5)C6=CC=CC=C6)OC7=CC=CC=C7C8=CC=CC=C8

DOS

IR

Vibrations