Geometry & MOs

Info

ID:	195123
PubChem CID:	78638382
Reduced:	ClFNO3C20H21 (1)
Stoich.:	ABCD3E20F21 (1)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	-161.49
Dipole, Da:	5.92
IP(EA), eV:	-9.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C)NC(=O)COC(=O)CC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations