Geometry & MOs

Info

ID:	24773
PubChem CID:	613321
Reduced:	ClON2F3H6C10 (1)
Stoich.:	ABC2D3E6F10 (1)
Weight, g/mol:	262.012075
ΔH_f, kcal/mol:	-165.66
Dipole, Da:	3.74
IP(EA), eV:	-9.68(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-4-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1C(=NC2=C(C=C(C=C2)Cl)NC1=O)C(F)(F)F

DOS

IR

Vibrations