Geometry & MOs

Info

ID:	415550
PubChem CID:	135088546
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	320.257612
ΔH_f, kcal/mol:	-30.42
Dipole, Da:	8.21
IP(EA), eV:	-9.53(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(2-methyl-2-piperidin-1-ylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)CCC3=C(N4C(=NC=N4)N=C3C)C)OCC1

DOS

IR

Vibrations