Geometry & MOs

Info

ID:	174206
PubChem CID:	75740051
Reduced:	N2C16H21 (1)
Stoich.:	A2B16C21 (1)
Weight, g/mol:	254.179442
ΔH_f, kcal/mol:	37.58
Dipole, Da:	3.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.327944
Charge, e:	2

Chem-info

IUPAC name:

(4-fluorophenyl)methyl-(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl)azanium

Drug info:

PubChemData

Smile

CC[NH2+]C(C1=CN=CC=C1)C2=CC(=CC(=C2)C)C

DOS

IR

Vibrations