Geometry & MOs

Info

ID:	162274
PubChem CID:	57394155
Reduced:	ClO3N5C17H20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	409.119319
ΔH_f, kcal/mol:	-71.0
Dipole, Da:	3.83
IP(EA), eV:	-8.99(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-7-piperazin-1-yl-4,10-dihydrofuro[3,2-c][1,6]benzoxazocin-11-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@H]([C@@H]1NC2=C(C(=NC(=N2)N)Cl)/C=C\C3=CN=CC=C3)O)O)CO

DOS

IR

Vibrations