Geometry & MOs

Info

ID:	290740
PubChem CID:	109896267
Reduced:	BrFNOC13H17 (1)
Stoich.:	ABCDE13F17 (1)
Weight, g/mol:	310.171499
ΔH_f, kcal/mol:	-87.45
Dipole, Da:	2.37
IP(EA), eV:	-9.28(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-hydroxyethylsulfanylmethyl)pyridin-2-yl]-3,5-dimethylhexanamide

Drug info:

PubChemData

Smile

C[C@H](CCO)NC1CCC2=C1C=C(C=C2F)Br

DOS

IR

Vibrations