Geometry & MOs

Info

ID:	51244
PubChem CID:	12013886
Reduced:	NO2C7H7 (1)
Stoich.:	AB2C7D7 (1)
Weight, g/mol:	241.073893
ΔH_f, kcal/mol:	-49.03
Dipole, Da:	6.26
IP(EA), eV:	-9.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(=O)C2=CC=CN21

DOS

IR

Vibrations