Geometry & MOs

Info

ID:	419357
PubChem CID:	135108033
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	39.55
Dipole, Da:	3.45
IP(EA), eV:	-8.58(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC5=C(C=C4)N=CC=C5

DOS

IR

Vibrations