Geometry & MOs

Info

ID:	202892
PubChem CID:	79740029
Reduced:	BrF2N2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-45.88
Dipole, Da:	1.42
IP(EA), eV:	-9.45(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(5-ethylpyridin-2-yl)butanoate

Drug info:

PubChemData

Smile

CC(C)NC(C1=NC=C(C=C1)F)C2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations