Geometry & MOs

Info

ID:	412862
PubChem CID:	135085791
Reduced:	NO4C9H11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	204.106277
ΔH_f, kcal/mol:	-93.01
Dipole, Da:	1.8
IP(EA), eV:	-9.14(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(4-fluorophenyl)methyl]aziridin-2-yl]propanenitrile

Drug info:

PubChemData

Smile

COC(=O)CC(=NOC)C1=CC=CO1

DOS

IR

Vibrations