Geometry & MOs

Info

ID:	212283
PubChem CID:	81060009
Reduced:	SCl3N3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	24.99
Dipole, Da:	4.26
IP(EA), eV:	-8.86(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2-pyrrolidin-1-ylethylamino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2=CC(=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations