Geometry & MOs

Info

ID:	374861
PubChem CID:	131349570
Reduced:	NSO2Cl3C9H10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-86.13
Dipole, Da:	3.47
IP(EA), eV:	-9.5(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethyl-4,5,6,7-tetrahydrofuro[3,4-c]pyridin-4-yl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)CC(C1=C(C=CC(=C1Cl)Cl)Cl)N

DOS

IR

Vibrations