Geometry & MOs

Info

ID:	412416
PubChem CID:	135085307
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	222.071451
ΔH_f, kcal/mol:	-148.29
Dipole, Da:	3.68
IP(EA), eV:	-9.68(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylethenylsulfonyl)-4-methylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)/C=C/CC(CO)O

DOS

IR

Vibrations