Geometry & MOs

Info

ID:	173285
PubChem CID:	75618050
Reduced:	Cl2O2N3H17C19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	324.111007
ΔH_f, kcal/mol:	-7.04
Dipole, Da:	5.72
IP(EA), eV:	-9.57(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=O)C2C=CC(=CC2=N1)Cl)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations