Geometry & MOs

Info

ID:	295757
PubChem CID:	117543704
Reduced:	ClOC9H9 (1)
Stoich.:	ABC9D9 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	-5.27
Dipole, Da:	1.93
IP(EA), eV:	-9.61(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(4-propan-2-ylphenyl)oxirane

Drug info:

PubChemData

Smile

CC1C(O1)C2=CC=CC=C2Cl

DOS

IR

Vibrations