Geometry & MOs

Info

ID:	283996
PubChem CID:	104024743
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	221.068808
ΔH_f, kcal/mol:	-53.79
Dipole, Da:	4.7
IP(EA), eV:	-8.66(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-2-oxoacetic acid

Drug info:

PubChemData

Smile

CC(=O)CN1CCCOC2=CC=CC=C21

DOS

IR

Vibrations