Geometry & MOs

Info

ID:	51243
PubChem CID:	12013885
Reduced:	Cl2N2O4H6C13 (1)
Stoich.:	A2B2C4D6E13 (1)
Weight, g/mol:	137.047678
ΔH_f, kcal/mol:	-110.72
Dipole, Da:	5.15
IP(EA), eV:	-9.96(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)/C=C\2/C(=O)C3=C(O2)NC(=O)NC3=O

DOS

IR

Vibrations