Geometry & MOs

Info

ID:	122753
PubChem CID:	50820430
Reduced:	OSN6C21H28 (1)
Stoich.:	ABC6D21E28 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	28.06
Dipole, Da:	6.99
IP(EA), eV:	-8.86(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(diethylamino)ethylsulfanyl]-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCSC2=NC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations