Geometry & MOs

Info

ID:	322278
PubChem CID:	126669582
Reduced:	N2O3H26C27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	437.221561
ΔH_f, kcal/mol:	-43.96
Dipole, Da:	5.92
IP(EA), eV:	-8.89(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]isoquinolin-1-yl]-1H-indazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)O)C2=CC(=CC3=CC=CC=C32)C(C)NCC4=CC(=CC=C4)OC

DOS

IR

Vibrations