Geometry & MOs

Info

ID:	262716
PubChem CID:	103311042
Reduced:	BrNOF6C9H12 (1)
Stoich.:	ABCD6E9F12 (1)
Weight, g/mol:	385.01121
ΔH_f, kcal/mol:	-393.74
Dipole, Da:	5.92
IP(EA), eV:	-10.3(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-bromoethoxy)piperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

Drug info:

PubChemData

Smile

CCC(C)(CBr)NC(=O)C(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations