Geometry & MOs

Info

ID:	127296
PubChem CID:	50997522
Reduced:	Cl2O3N4C15H18 (1)
Stoich.:	A2B3C4D15E18 (1)
Weight, g/mol:	336.098918
ΔH_f, kcal/mol:	-125.56
Dipole, Da:	6.19
IP(EA), eV:	-8.64(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-3-oxo-2-piperidin-4-ylidene-4H-1,4-benzoxazin-8-yl)-3-methylurea

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC(=CC2=C1OC(=C3CCNCC3)C(=O)N2)Cl.Cl

DOS

IR

Vibrations