Geometry & MOs

Info

ID:	333663
PubChem CID:	127252215
Reduced:	FON4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	368.140389
ΔH_f, kcal/mol:	11.09
Dipole, Da:	2.5
IP(EA), eV:	-8.93(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[5-[(4-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine

Drug info:

PubChemData

Smile

C1CN(CC1C2=NNC(=C2)COC3=CC=C(C=C3)F)CC4=CC=CC=N4

DOS

IR

Vibrations