Geometry & MOs

Info

ID:	422593
PubChem CID:	135118103
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	276.138639
ΔH_f, kcal/mol:	24.07
Dipole, Da:	6.41
IP(EA), eV:	-9.15(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(3-fluoropyridin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC=C(O2)C3=CC=NN3)C4=CC(=O)N=CN4

DOS

IR

Vibrations