Geometry & MOs

Info

ID:	275254
PubChem CID:	103814855
Reduced:	OSN3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-44.04
Dipole, Da:	3.38
IP(EA), eV:	-9.49(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNC(=O)CC(C)(C)N

DOS

IR

Vibrations