Geometry & MOs

Info

ID:	144398
PubChem CID:	53361258
Reduced:	O2N4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	349.086956
ΔH_f, kcal/mol:	59.87
Dipole, Da:	4.16
IP(EA), eV:	-8.58(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chlorophenyl)methyl]-3-methylbenzo[b][1,4]benzoxazepin-6-one

Drug info:

PubChemData

Smile

C/C(=N\OCCN)/C1=CC=C(C=C1)NC2=C3C=COC3=NC4=CC=CC=C42

DOS

IR

Vibrations