Geometry & MOs

Info

ID:	51248
PubChem CID:	12013890
Reduced:	NCl2O3H9C14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	275.034921
ΔH_f, kcal/mol:	-73.75
Dipole, Da:	3.71
IP(EA), eV:	-10.04(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations