Geometry & MOs

Info

ID:	189822
PubChem CID:	77909146
Reduced:	ON3H23C26 (1)
Stoich.:	AB3C23D26 (1)
Weight, g/mol:	388.163436
ΔH_f, kcal/mol:	70.78
Dipole, Da:	2.41
IP(EA), eV:	-9.21(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) (6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl) carbonate

Drug info:

PubChemData

Smile

CN1C(C(=CC2=CC=CC=C2)N3C1=NC(CC3=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations