Geometry & MOs

Info

ID:	199738
PubChem CID:	79290600
Reduced:	ClFON2H8C9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	198.060469
ΔH_f, kcal/mol:	-69.76
Dipole, Da:	3.08
IP(EA), eV:	-8.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-difluoro-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CN1CC(=O)NC2=CC(=C(C=C21)F)Cl

DOS

IR

Vibrations