Geometry & MOs

Info

ID:	421549
PubChem CID:	135116192
Reduced:	FSN4O4C32H39 (1)
Stoich.:	ABC4D4E32F39 (1)
Weight, g/mol:	333.14887
ΔH_f, kcal/mol:	-137.11
Dipole, Da:	1.71
IP(EA), eV:	-8.87(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-6-methoxyphenyl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C(=O)NCCCN(CCCC(=O)NCC3=C(O2)C=CC=C3F)CC4=CC(=CS4)CN5CCCC5

DOS

IR

Vibrations