Geometry & MOs

Info

ID:	391794
PubChem CID:	135009679
Reduced:	ON3C25H27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	331.00693
ΔH_f, kcal/mol:	50.96
Dipole, Da:	1.79
IP(EA), eV:	-8.4(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-iodo-2-phenylethyl)aziridine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCNC1=NC2=C(N=C1CC3=CC=CC=C3)OC(=C2)C4=CC=CC=C4

DOS

IR

Vibrations