Geometry & MOs

Info

ID:	376551
PubChem CID:	134222570
Reduced:	ClN2O3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	161.084064
ΔH_f, kcal/mol:	-124.77
Dipole, Da:	6.7
IP(EA), eV:	-9.21(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propan-2-yl-2,1-benzoxazole

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC(=C1)C(=O)Cl)NC(=O)C

DOS

IR

Vibrations