Geometry & MOs

Info

ID:	30075
PubChem CID:	839467
Reduced:	NCl2O3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	335.011599
ΔH_f, kcal/mol:	-74.18
Dipole, Da:	6.24
IP(EA), eV:	-9.11(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dichloro-4-ethoxyphenyl)-3,1-benzoxazin-4-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=O)O2)Cl

DOS

IR

Vibrations