Geometry & MOs

Info

ID:	296079
PubChem CID:	117555310
Reduced:	SN3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	241.067369
ΔH_f, kcal/mol:	48.02
Dipole, Da:	7.22
IP(EA), eV:	-8.99(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC1=NC=C(S1)C#N

DOS

IR

Vibrations