Geometry & MOs

Info

ID:	408244
PubChem CID:	135081006
Reduced:	IC11H11 (1)
Stoich.:	AB11C11 (1)
Weight, g/mol:	238.087291
ΔH_f, kcal/mol:	76.69
Dipole, Da:	1.87
IP(EA), eV:	-9.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2-chlorophenyl)methyl]aziridin-2-yl]propanamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C#CI

DOS

IR

Vibrations