Geometry & MOs

Info

ID:	257606
PubChem CID:	103147339
Reduced:	BrF2N2O2C13H19 (1)
Stoich.:	AB2C2D2E13F19 (1)
Weight, g/mol:	269.122735
ΔH_f, kcal/mol:	-169.82
Dipole, Da:	3.24
IP(EA), eV:	-9.39(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CC(=O)CCOCC(F)F)CC

DOS

IR

Vibrations