Geometry & MOs

Info

ID:	423708
PubChem CID:	135120055
Reduced:	ON3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-34.63
Dipole, Da:	4.39
IP(EA), eV:	-8.4(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(2-methylpyridin-3-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(CC2)N3C[C@H]([C@@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations