Geometry & MOs

Info

ID:	419093
PubChem CID:	135107463
Reduced:	FN3O3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-127.63
Dipole, Da:	6.63
IP(EA), eV:	-10.0(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC(=CC(=C3)C#N)F)C(=O)O

DOS

IR

Vibrations