Geometry & MOs

Info

ID:	199383
PubChem CID:	79239386
Reduced:	SN2C11H18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	239.105862
ΔH_f, kcal/mol:	5.27
Dipole, Da:	3.12
IP(EA), eV:	-8.42(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-(methylamino)pyridin-2-yl]methoxy]benzonitrile

Drug info:

PubChemData

Smile

CCCSCC1=NC(=CC=C1)NCC

DOS

IR

Vibrations