Geometry & MOs

Info

ID:	299410
PubChem CID:	117682848
Reduced:	NH11C12 (1)
Stoich.:	AB11C12 (1)
Weight, g/mol:	317.098669
ΔH_f, kcal/mol:	62.68
Dipole, Da:	1.83
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-isoquinolin-3-yl-4-(4-methylphenyl)-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

C=NCC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations