Geometry & MOs

Info

ID:	416566
PubChem CID:	135089688
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	319.13322
ΔH_f, kcal/mol:	-22.45
Dipole, Da:	3.38
IP(EA), eV:	-9.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC(=NO3)C4CC4

DOS

IR

Vibrations