Geometry & MOs

Info

ID:	374173
PubChem CID:	131324901
Reduced:	BrF2S2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-67.18
Dipole, Da:	2.25
IP(EA), eV:	-8.76(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-1-piperidin-4-ylcyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1)C(=C(S2)CBr)C(F)F

DOS

IR

Vibrations