Geometry & MOs

Info

ID:	156878
PubChem CID:	56394823
Reduced:	FSO2N5H24C25 (1)
Stoich.:	ABC2D5E24F25 (1)
Weight, g/mol:	422.181727
ΔH_f, kcal/mol:	9.11
Dipole, Da:	7.36
IP(EA), eV:	-8.25(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)piperidin-4-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCC(CC2)NC(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations