Geometry & MOs

Info

ID:	211740
PubChem CID:	81052077
Reduced:	SN3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	62.23
Dipole, Da:	3.86
IP(EA), eV:	-9.02(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[(1-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCCSC2=CC=CC=C2

DOS

IR

Vibrations