Geometry & MOs

Info

ID:	212455
PubChem CID:	81060585
Reduced:	SN4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	294.187818
ΔH_f, kcal/mol:	59.19
Dipole, Da:	5.07
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2=CN=CC=C2

DOS

IR

Vibrations