Geometry & MOs

Info

ID:	328891
PubChem CID:	126728811
Reduced:	O3C16H30 (1)
Stoich.:	A3B16C30 (1)
Weight, g/mol:	221.098669
ΔH_f, kcal/mol:	-210.33
Dipole, Da:	2.21
IP(EA), eV:	-10.16(1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[[methyl(pyridin-4-yl)amino]methylsulfanyl]propanenitrile

Drug info:

PubChemData

Smile

CC1CC2(CCCCCCCCCCC(C1)(O2)O)O

DOS

IR

Vibrations