Geometry & MOs

Info

ID:	418206
PubChem CID:	135103870
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	31.46
Dipole, Da:	3.25
IP(EA), eV:	-9.08(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(4-propoxyphenyl)methanone

Drug info:

PubChemData

Smile

CN(C)CC1=NN=C(O1)NC2CC3=CC=CC=C3C2

DOS

IR

Vibrations