Geometry & MOs

Info

ID:	211817
PubChem CID:	81054296
Reduced:	FOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	279.140533
ΔH_f, kcal/mol:	-28.33
Dipole, Da:	6.98
IP(EA), eV:	-8.49(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)OC2=CC=CC=C2F

DOS

IR

Vibrations