Geometry & MOs

Info

ID:	333612
PubChem CID:	127252164
Reduced:	FN2O2C25H25 (1)
Stoich.:	AB2C2D25E25 (1)
Weight, g/mol:	366.149204
ΔH_f, kcal/mol:	-67.61
Dipole, Da:	2.04
IP(EA), eV:	-9.29(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CC=CC=C2)C3=CC=CC(=N3)CC4=CC=CC=C4F

DOS

IR

Vibrations