Geometry & MOs

Info

ID:	135636
PubChem CID:	51907438
Reduced:	N3O3C25H34 (1)
Stoich.:	A3B3C25D34 (1)
Weight, g/mol:	403.154349
ΔH_f, kcal/mol:	-58.24
Dipole, Da:	3.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.223173
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-1-(furan-2-carbonyl)piperidine-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(NC2=CC=CC=C12)C[NH+]3CCN([C@@H](C3)CCO)CC4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations