Geometry & MOs

Info

ID:	56804
PubChem CID:	22390442
Reduced:	ClNF2C22H24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	208.063663
ΔH_f, kcal/mol:	-65.99
Dipole, Da:	4.47
IP(EA), eV:	-8.29(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[d][2,3]benzodiazepin-11-one

Drug info:

PubChemData

Smile

C=C(CC1=CC(=C(C=C1)C2=CC(=CC(=C2)F)F)Cl)N3CCCCCCC3

DOS

IR

Vibrations