Geometry & MOs

Info

ID:	181906
PubChem CID:	76812768
Reduced:	F3O3N6C25H33 (1)
Stoich.:	A3B3C6D25E33 (1)
Weight, g/mol:	433.237685
ΔH_f, kcal/mol:	-238.7
Dipole, Da:	6.54
IP(EA), eV:	-8.96(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[(6-fluoro-1H-indol-3-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]-2-methylbutanamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OCC4CCCN4C)C(F)(F)F)OC

DOS

IR

Vibrations