Geometry & MOs

Info

ID:	419016
PubChem CID:	135107337
Reduced:	ON3C25H27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	383.206973
ΔH_f, kcal/mol:	28.31
Dipole, Da:	2.37
IP(EA), eV:	-8.7(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)CCC5=CC=C(C=C5)O

DOS

IR

Vibrations