Geometry & MOs

Info

ID:	338589
PubChem CID:	127259600
Reduced:	NC12H17 (1)
Stoich.:	AB12C17 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	28.24
Dipole, Da:	1.8
IP(EA), eV:	-9.61(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-2-methyl-3-propan-2-ylaziridin-1-yl]-naphthalen-2-ylmethanone

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1[C@H](N1)C2=CC=CC=C2

DOS

IR

Vibrations