Geometry & MOs

Info

ID:	420591
PubChem CID:	135114144
Reduced:	ClON3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	319.13322
ΔH_f, kcal/mol:	66.43
Dipole, Da:	3.31
IP(EA), eV:	-9.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=CC=C2Cl)CC3=CC(=NO3)C4=CC=NC=C4

DOS

IR

Vibrations