Geometry & MOs

Info

ID:	23314
PubChem CID:	603053
Reduced:	ClNO2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	183.008706
ΔH_f, kcal/mol:	-54.09
Dipole, Da:	3.41
IP(EA), eV:	-9.29(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3,4-dihydro-1,4-benzoxazin-2-one

Drug info:

PubChemData

Smile

C1C(=O)OC2=C(N1)C=CC(=C2)Cl

DOS

IR

Vibrations