Geometry & MOs

Info

ID:	174644
PubChem CID:	75800429
Reduced:	ION2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	330.198166
ΔH_f, kcal/mol:	-7.41
Dipole, Da:	7.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.070775
Charge, e:	1

Chem-info

IUPAC name:

[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-[[4-(methoxymethyl)phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC[NH+]1CCCC1CNC(=O)C2=CC=C(C=C2)I

DOS

IR

Vibrations