Geometry & MOs

Info

ID:	429521
PubChem CID:	135169570
Reduced:	SF2O2N7C23H27 (1)
Stoich.:	AB2C2D7E23F27 (1)
Weight, g/mol:	158.084398
ΔH_f, kcal/mol:	-81.72
Dipole, Da:	1.95
IP(EA), eV:	-8.18(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aziridin-1-yl)-5-methylbenzonitrile

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=CC(=N2)COC3=CC(=C4C(=C3)SC(N4)NC5CCCC(C5)(F)F)OC

DOS

IR

Vibrations