Geometry & MOs

Info

ID:	263310
PubChem CID:	103354777
Reduced:	ClO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	254.070972
ΔH_f, kcal/mol:	-93.96
Dipole, Da:	1.31
IP(EA), eV:	-9.44(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-3-(2,5-dimethylphenyl)-3-methyloxirane-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(C2(O1)CCC(CC2)C3=CC=CC=C3)Cl

DOS

IR

Vibrations