Geometry & MOs

Info

ID:	420154
PubChem CID:	135111430
Reduced:	ON2C24H32 (1)
Stoich.:	AB2C24D32 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-9.17
Dipole, Da:	3.56
IP(EA), eV:	-8.16(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC=C(C=C2)CN3CCC[C@@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations