Geometry & MOs

Info

ID:	318019
PubChem CID:	126648366
Reduced:	ClON4C28H29 (1)
Stoich.:	ABC4D28E29 (1)
Weight, g/mol:	436.226312
ΔH_f, kcal/mol:	38.43
Dipole, Da:	2.54
IP(EA), eV:	-8.27(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]naphthalen-1-yl]-1H-indazol-3-amine

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)OC)NC(C)C2=CC3=CC=CC=C3C(=C2)C4=CC5=C(C=C4)NN=C5N.Cl

DOS

IR

Vibrations