Geometry & MOs

Info

ID:	333706
PubChem CID:	127252258
Reduced:	O2F3N4H19C21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-142.94
Dipole, Da:	4.11
IP(EA), eV:	-9.68(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=NNC(=C2)COC3=CC=CC(=C3)C(F)(F)F)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations