Geometry & MOs

Info

ID:	375319
PubChem CID:	131499933
Reduced:	BrSN2H5C11 (1)
Stoich.:	ABC2D5E11 (1)
Weight, g/mol:	225.055656
ΔH_f, kcal/mol:	109.41
Dipole, Da:	4.29
IP(EA), eV:	-9.41(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(6-chloropyridin-2-yl)cyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1CC#N)C=C(S2)Br)C#N

DOS

IR

Vibrations