Geometry & MOs

Info

ID:	414939
PubChem CID:	135087919
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-31.55
Dipole, Da:	1.46
IP(EA), eV:	-9.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[2-(6-methylpyridin-2-yl)ethyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)C(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations