Geometry & MOs

Info

ID:	175448
PubChem CID:	75906810
Reduced:	F2N2O5H18C23 (1)
Stoich.:	A2B2C5D18E23 (1)
Weight, g/mol:	354.229386
ΔH_f, kcal/mol:	-143.97
Dipole, Da:	3.3
IP(EA), eV:	-8.66(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(propylcarbamoyl)phenyl]methyl-[(3-pyridin-3-ylpyrazolidin-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C=C3C(=O)OC(=N3)C4=CC(=C(C=C4)F)F)OC

DOS

IR

Vibrations