Geometry & MOs

Info

ID:	74757
PubChem CID:	48422418
Reduced:	BrNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	406.117413
ΔH_f, kcal/mol:	-53.07
Dipole, Da:	1.66
IP(EA), eV:	-9.45(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CC=CC=C1Br)OCC2CC2

DOS

IR

Vibrations