Geometry & MOs

Info

ID:	321183
PubChem CID:	126665123
Reduced:	ClN2O2H17C21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	352.077869
ΔH_f, kcal/mol:	24.26
Dipole, Da:	1.51
IP(EA), eV:	-8.2(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-4-(5-fluoro-2-benzofuran-1-yl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

Drug info:

PubChemData

Smile

COC1=CC2=COC(=C2C=C1)C3C4=CC=CN4C5=C(CN3)C=CC(=C5)Cl

DOS

IR

Vibrations