Geometry & MOs

Info

ID:	309886
PubChem CID:	126564590
Reduced:	FO5N7C27H36 (1)
Stoich.:	AB5C7D27E36 (1)
Weight, g/mol:	446.192961
ΔH_f, kcal/mol:	-169.27
Dipole, Da:	4.39
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-hydroxy-1-methylindol-3-yl)-N-[[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC(COC1CCCCO1)CON=C2CCN(CC2)C3=NC=C(C=N3)C4=CC=CC(=C4F)COC(=O)N=C(N)N

DOS

IR

Vibrations