Geometry & MOs

Info

ID:	180931
PubChem CID:	76706320
Reduced:	ClNO3H8C16 (1)
Stoich.:	ABC3D8E16 (1)
Weight, g/mol:	263.058243
ΔH_f, kcal/mol:	12.57
Dipole, Da:	3.28
IP(EA), eV:	-10.07(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-oxo-1H-inden-2-ylidene)-2,1-benzoxazol-5-one

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)Cl)C(=O)C1=C3C(=O)C=CC4=NOC=C43

DOS

IR

Vibrations