Geometry & MOs

Info

ID:	399972
PubChem CID:	135044266
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	253.073893
ΔH_f, kcal/mol:	-63.47
Dipole, Da:	2.71
IP(EA), eV:	-9.78(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-acetyl-5H-benzo[b][1,4]benzoxazepin-6-one

Drug info:

PubChemData

Smile

CC(C)C[C@@H]1CC(=O)OC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations