Geometry & MOs

Info

ID:	38473
PubChem CID:	8117990
Reduced:	ClFN2O3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	412.202502
ΔH_f, kcal/mol:	-129.29
Dipole, Da:	3.48
IP(EA), eV:	-8.81(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-3-(4-cyanophenoxy)-2-hydroxypropyl]-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N[C@@H]2CC(=O)N(C2=O)C3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations