Geometry & MOs

Info

ID:	212619
PubChem CID:	81061230
Reduced:	N3O3H13C15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	308.203468
ΔH_f, kcal/mol:	24.06
Dipole, Da:	6.14
IP(EA), eV:	-10.29(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[di(propan-2-yl)amino]ethylamino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=CC=CC(=C2C)[N+](=O)[O-]

DOS

IR

Vibrations