Geometry & MOs

Info

ID:	211844
PubChem CID:	81054413
Reduced:	S2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	277.161269
ΔH_f, kcal/mol:	49.06
Dipole, Da:	3.91
IP(EA), eV:	-8.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[cyclopropyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NCC2=CN=C(S2)C

DOS

IR

Vibrations