Geometry & MOs

Info

ID:	216523
PubChem CID:	85086365
Reduced:	ClO2N4H9C12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-4.81
Dipole, Da:	8.31
IP(EA), eV:	-10.33(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-hydroxynaphthalen-1-yl)-3,3a,4,5,7,7a-hexahydro-2H-1,2-benzoxazol-6-one

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=N1)C(C(=O)N=C2N)C#N)Cl)C(=O)C

DOS

IR

Vibrations