Geometry & MOs

Info

ID:	245392
PubChem CID:	99444239
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	421.216555
ΔH_f, kcal/mol:	-77.63
Dipole, Da:	5.72
IP(EA), eV:	-8.5(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC(C)C)C)/C=C(/C#N)\C(=O)N[C@@H](C)C2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations