Geometry & MOs

Info

ID:	1192
PubChem CID:	3964
Reduced:	ClON3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	327.11384
ΔH_f, kcal/mol:	34.31
Dipole, Da:	1.34
IP(EA), eV:	-8.47(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

DOS

IR

Vibrations