Geometry & MOs

Info

ID:	211785
PubChem CID:	81054124
Reduced:	SN3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	249.129969
ΔH_f, kcal/mol:	1.52
Dipole, Da:	3.67
IP(EA), eV:	-8.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-cyclopropylethylamino)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NCC2CCCC2

DOS

IR

Vibrations