Geometry & MOs

Info

ID:	140097
PubChem CID:	52646620
Reduced:	BrO2N3H16C21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	406.186813
ΔH_f, kcal/mol:	52.46
Dipole, Da:	4.37
IP(EA), eV:	-9.45(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=CC=CO2)NC(=O)C3=CN(N=C3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations