Geometry & MOs

Info

ID:	416504
PubChem CID:	135089520
Reduced:	ON3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	5.51
Dipole, Da:	3.2
IP(EA), eV:	-8.26(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethoxyphenyl)-1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=N2)N3C[C@H]([C@@H](C3)O)CC4=CC=NC=C4)C)C

DOS

IR

Vibrations