Geometry & MOs

Info

ID:	6085
PubChem CID:	14434
Reduced:	FOCl3N3C21H25 (1)
Stoich.:	ABC3D3E21F25 (1)
Weight, g/mol:	459.104724
ΔH_f, kcal/mol:	-113.92
Dipole, Da:	5.74
IP(EA), eV:	-9.44(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one;dihydrochloride

Drug info:

PubChemData

Smile

CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.Cl.Cl

DOS

IR

Vibrations