Geometry & MOs

Info

ID:	154099
PubChem CID:	56313487
Reduced:	SN2F3O3C21H25 (1)
Stoich.:	AB2C3D3E21F25 (1)
Weight, g/mol:	498.21417
ΔH_f, kcal/mol:	-234.89
Dipole, Da:	5.36
IP(EA), eV:	-8.6(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCCN2CCC3=C(C2)C=CS3)OCC(F)(F)F

DOS

IR

Vibrations