Geometry & MOs

Info

ID:	422272
PubChem CID:	135117540
Reduced:	FN6C11H15 (1)
Stoich.:	AB6C11D15 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	26.88
Dipole, Da:	4.35
IP(EA), eV:	-8.89(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC=C1F)NCCC2=CN=CN2

DOS

IR

Vibrations