Geometry & MOs

Info

ID:	296080
PubChem CID:	117555335
Reduced:	SN3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	241.067369
ΔH_f, kcal/mol:	86.98
Dipole, Da:	6.49
IP(EA), eV:	-9.04(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C3=NC=C(S3)C#N

DOS

IR

Vibrations