Geometry & MOs

Info

ID:	216270
PubChem CID:	85085970
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	248.094963
ΔH_f, kcal/mol:	-117.0
Dipole, Da:	4.92
IP(EA), eV:	-8.53(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-benzoylaziridin-2-yl)benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)CCC1C(=O)NC2=CC=CC=C2N1

DOS

IR

Vibrations