Geometry & MOs

Info

ID:	390821
PubChem CID:	135001125
Reduced:	FeSiC20H22 (1)
Stoich.:	ABC20D22 (1)
Weight, g/mol:	339.085521
ΔH_f, kcal/mol:	83.99
Dipole, Da:	1.79
IP(EA), eV:	-7.49(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-nitrophenyl)-2,3,8,10-tetrahydro-[1,4]dioxino[2,3-h][2,3]benzodiazepin-9-one

Drug info:

PubChemData

Smile

C[Si](C)(C1=CC=CC=C1)C(=C)C2=C[CH]C=C2.C1=C[CH]C=C1.[Fe]

DOS

IR

Vibrations