Geometry & MOs

Info

ID:	398145
PubChem CID:	135031979
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-164.61
Dipole, Da:	2.82
IP(EA), eV:	-9.98(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3S)-3-(2-phenylethyl)aziridin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1(OC2C3CCC4(C2O1)CCC(=O)CC4C3)C

DOS

IR

Vibrations