Geometry & MOs

Info

ID:	405181
PubChem CID:	135072917
Reduced:	NCl3O7H34C36 (1)
Stoich.:	AB3C7D34E36 (1)
Weight, g/mol:	226.99617
ΔH_f, kcal/mol:	-178.57
Dipole, Da:	5.37
IP(EA), eV:	-9.54(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azidomethylselanyl)-4-methylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2[C@@H](C(C([C@@H](O2)OC(=N)C(Cl)(Cl)Cl)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations