Geometry & MOs

Info

ID:	211810
PubChem CID:	81054271
Reduced:	SN5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	264.140868
ΔH_f, kcal/mol:	68.3
Dipole, Da:	6.66
IP(EA), eV:	-8.5(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N(C)CC2=CN(N=C2)C

DOS

IR

Vibrations