Geometry & MOs

Info

ID:	415155
PubChem CID:	135088146
Reduced:	NOF2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	-223.55
Dipole, Da:	7.29
IP(EA), eV:	-9.3(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[5-(piperidin-1-ylmethyl)pyridin-2-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations