Geometry & MOs

Info

ID:	305173
PubChem CID:	124767320
Reduced:	ClNF2O5C12H14 (1)
Stoich.:	ABC2D5E12F14 (1)
Weight, g/mol:	402.251858
ΔH_f, kcal/mol:	-307.31
Dipole, Da:	4.55
IP(EA), eV:	-8.74(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(2R)-2-hydroxy-3-[[(1S,2R)-2-methylcyclohexyl]amino]propoxy]-1,2-dimethylindole-3-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@@H]([C@H](O1)NC2=CC=C(C=C2)OC(F)(F)Cl)O)O)O

DOS

IR

Vibrations