Geometry & MOs

Info

ID:	159967
PubChem CID:	57304219
Reduced:	NSO3C6H9 (1)
Stoich.:	ABC3D6E9 (1)
Weight, g/mol:	212.02006
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	1.74
IP(EA), eV:	-9.83(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-1-but-2-ynyl-2-prop-2-enylcyclopropane

Drug info:

PubChemData

Smile

COC(C1=C(N=CS1)CO)O

DOS

IR

Vibrations