Geometry & MOs

Info

ID:	423540
PubChem CID:	135119696
Reduced:	ON5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	349.119319
ΔH_f, kcal/mol:	16.28
Dipole, Da:	2.5
IP(EA), eV:	-9.37(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C2=NC=NC(=C2)N)O)CC3=CC=NC=C3

DOS

IR

Vibrations