Geometry & MOs

Info

ID:	153497
PubChem CID:	56312728
Reduced:	O2F3N3H22C25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	430.207942
ΔH_f, kcal/mol:	-115.85
Dipole, Da:	5.23
IP(EA), eV:	-8.38(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]-N-propylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations