Geometry & MOs

Info

ID:	51249
PubChem CID:	12013891
Reduced:	ClNO3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	255.089543
ΔH_f, kcal/mol:	-64.85
Dipole, Da:	4.57
IP(EA), eV:	-9.92(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-phenylacetyl)-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one

Drug info:

PubChemData

Smile

C1COC(=O)C2=CC=C(N21)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations