Geometry & MOs

Info

ID:	299561
PubChem CID:	117687682
Reduced:	ClN2O9C42H49 (1)
Stoich.:	AB2C9D42E49 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-262.99
Dipole, Da:	11.47
IP(EA), eV:	-8.51(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylspiro[1H-xanthene-9,4'-5H-1,3-oxazole]-2,2'-diamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C/C2=CC(=C(C(=C2)OC)OCCCCCCCCOC3=C(C=C(C=C3)C4NC5=C(C=C(C=C5)Cl)C(=O)N4)OC)OC

DOS

IR

Vibrations