Geometry & MOs

Info

ID:	299416
PubChem CID:	117682870
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	307.114319
ΔH_f, kcal/mol:	34.25
Dipole, Da:	13.72
IP(EA), eV:	-7.99(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-N-(5,6,7,8-tetrahydroisoquinolin-3-yl)-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=C2C=CC(=O)C=C2)NC3=CC=CC=C31

DOS

IR

Vibrations