Geometry & MOs

Info

ID:	385989
PubChem CID:	134980479
Reduced:	S2O7C21H22 (1)
Stoich.:	A2B7C21D22 (1)
Weight, g/mol:	278.203451
ΔH_f, kcal/mol:	-233.45
Dipole, Da:	12.47
IP(EA), eV:	-10.15(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropyl]-4-methylbenzene

Drug info:

PubChemData

Smile

COC12CCCC([C@H]1CC(=O)O2)(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations