Geometry & MOs

Info

ID:	24848
PubChem CID:	613905
Reduced:	ClFN2O2H10C15 (1)
Stoich.:	ABC2D2E10F15 (1)
Weight, g/mol:	304.041483
ΔH_f, kcal/mol:	-28.43
Dipole, Da:	2.9
IP(EA), eV:	-9.27(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-(2-fluorophenyl)-1-hydroxy-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)O

DOS

IR

Vibrations