Geometry & MOs

Info

ID:	285219
PubChem CID:	104098695
Reduced:	ClO2N4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	341.114234
ΔH_f, kcal/mol:	-25.34
Dipole, Da:	3.79
IP(EA), eV:	-8.52(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)CNC2=C(C=C3C(=C2)OCC(=O)N3)Cl

DOS

IR

Vibrations