Geometry & MOs

Info

ID:	83758
PubChem CID:	49861053
Reduced:	ClF3N3O4C19H23 (1)
Stoich.:	AB3C3D4E19F23 (1)
Weight, g/mol:	416.18667
ΔH_f, kcal/mol:	-312.16
Dipole, Da:	6.69
IP(EA), eV:	-9.23(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-[3-(1H-indol-3-yl)propylamino]-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride

Drug info:

PubChemData

Smile

C1CN2CCC1N(CC2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)CCF)F.O.Cl

DOS

IR

Vibrations