Geometry & MOs

Info

ID:	66169
PubChem CID:	46500367
Reduced:	BrO2N3H16C21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	301.128963
ΔH_f, kcal/mol:	37.19
Dipole, Da:	3.28
IP(EA), eV:	-9.16(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

piperidin-1-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CC(=C3)COC4=CC=CC=C4Br)N

DOS

IR

Vibrations