Geometry & MOs

Info

ID:	212285
PubChem CID:	81060011
Reduced:	N3C13H19 (1)
Stoich.:	A3B13C19 (1)
Weight, g/mol:	297.129969
ΔH_f, kcal/mol:	15.93
Dipole, Da:	5.2
IP(EA), eV:	-9.04(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-2H-quinolin-1-yl)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CCC(C)CNC1=C(C(=NC(=C1)C)C)C#N

DOS

IR

Vibrations