Geometry & MOs

Info

ID:	205085
PubChem CID:	80053730
Reduced:	O2N4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	221.098669
ΔH_f, kcal/mol:	-22.22
Dipole, Da:	3.0
IP(EA), eV:	-8.74(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylamino)-2-methyl-3-pyridin-4-ylsulfanylpropanenitrile

Drug info:

PubChemData

Smile

CC1=CC2=NC(=NN2C=C1)NCCOCCO

DOS

IR

Vibrations