Geometry & MOs

Info

ID:	421826
PubChem CID:	135116686
Reduced:	FN4O4C22H27 (1)
Stoich.:	AB4C4D22E27 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-138.64
Dipole, Da:	3.29
IP(EA), eV:	-9.31(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(2-methylpyrazol-3-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)N2CCC3(CCC(=O)NC3)CC2)C4=CC(=C(C=C4)F)OC

DOS

IR

Vibrations