Geometry & MOs

Info

ID:	256110
PubChem CID:	103137132
Reduced:	ClFN3H11C15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	23.38
Dipole, Da:	5.69
IP(EA), eV:	-8.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-aminoisoquinolin-8-yl)amino]propan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations