Geometry & MOs

Info

ID:	49035
PubChem CID:	11528637
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-22.86
Dipole, Da:	5.31
IP(EA), eV:	-10.09(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-phenylethyl)aziridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)CC/C(=C\C1=CC=CC=C1)/[N+](=O)[O-]

DOS

IR

Vibrations