Geometry & MOs

Info

ID:	256095
PubChem CID:	103136960
Reduced:	ClON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	283.114319
ΔH_f, kcal/mol:	31.03
Dipole, Da:	4.38
IP(EA), eV:	-8.08(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl(1,3-thiazol-4-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2=C3C=NC=CC3=C(C=C2)N)Cl

DOS

IR

Vibrations