Geometry & MOs

Info

ID:	9774
PubChem CID:	93250
Reduced:	ClON2F4H11C17 (1)
Stoich.:	ABC2D4E11F17 (1)
Weight, g/mol:	370.049603
ΔH_f, kcal/mol:	-182.47
Dipole, Da:	4.92
IP(EA), eV:	-9.54(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F

DOS

IR

Vibrations