Geometry & MOs

Info

ID:	345484
PubChem CID:	127269784
Reduced:	BrN2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-109.33
Dipole, Da:	2.49
IP(EA), eV:	-9.59(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCC(=O)CC2)C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations