Geometry & MOs

Info

ID:	280217
PubChem CID:	103847742
Reduced:	SN2O2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	252.066555
ΔH_f, kcal/mol:	-46.43
Dipole, Da:	1.56
IP(EA), eV:	-8.74(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(3-hydroxyoxolan-3-yl)methylamino]benzonitrile

Drug info:

PubChemData

Smile

C1COCC1(CNC2=NC3=CC=CC=C3S2)O

DOS

IR

Vibrations