Geometry & MOs

Info

ID:	182257
PubChem CID:	76865448
Reduced:	FO2N3C22H30 (1)
Stoich.:	AB2C3D22E30 (1)
Weight, g/mol:	489.254003
ΔH_f, kcal/mol:	-82.99
Dipole, Da:	9.64
IP(EA), eV:	-8.68(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-[5-(4-fluorophenyl)pyrazolidin-3-yl]pentyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)N(C)CCCCCC2CC(NN2)C3=CC=C(C=C3)F

DOS

IR

Vibrations