Geometry & MOs

Info

ID:	396772
PubChem CID:	135029179
Reduced:	NO3H19C29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	445.131408
ΔH_f, kcal/mol:	-6.36
Dipole, Da:	2.53
IP(EA), eV:	-8.8(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-methoxynaphthalen-1-yl)naphthalene-2-carbonyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C2=CC=CC=C12)C3=C(C=CC4=CC=CC=C43)C(=O)N5C6=CC=CC=C6OC5=O

DOS

IR

Vibrations