Geometry & MOs

Info

ID:	283995
PubChem CID:	104024741
Reduced:	ClNOC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-1.17
Dipole, Da:	4.13
IP(EA), eV:	-8.33(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propan-2-one

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2OC1)C3=CC=C(C=C3)CCl

DOS

IR

Vibrations