Geometry & MOs

Info

ID:	280969
PubChem CID:	103852237
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	285.03644
ΔH_f, kcal/mol:	-160.53
Dipole, Da:	6.28
IP(EA), eV:	-9.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethylbutyl 2-bromopyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1(CCOC1)NC(=O)C2=C(C=C(C=C2)OC)F

DOS

IR

Vibrations