Geometry & MOs

Info

ID:	333732
PubChem CID:	127252284
Reduced:	FO2N3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-47.65
Dipole, Da:	1.55
IP(EA), eV:	-8.58(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-methoxyphenoxy)methyl]-3-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole

Drug info:

PubChemData

Smile

C1COC(CN1CCCC2=CC=CC=C2)C3=NNC(=C3)CCOC4=CC=CC=C4F

DOS

IR

Vibrations