Geometry & MOs

Info

ID:	264862
PubChem CID:	103498442
Reduced:	BrFNOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-53.95
Dipole, Da:	1.51
IP(EA), eV:	-8.61(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)N2CCC3=C2C=C(C=C3)F)Br)O

DOS

IR

Vibrations