Geometry & MOs

Info

ID:	415359
PubChem CID:	135088353
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	333.14887
ΔH_f, kcal/mol:	-65.4
Dipole, Da:	3.34
IP(EA), eV:	-8.72(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CN=C(C=C1)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations