Geometry & MOs

Info

ID:	420063
PubChem CID:	135110955
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-14.77
Dipole, Da:	1.64
IP(EA), eV:	-9.03(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)CC3=CC(=C(C=C3)OC)CN4C=CC=N4

DOS

IR

Vibrations