Geometry & MOs

Info

ID:	246982
PubChem CID:	103066034
Reduced:	ClOC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	252.128093
ΔH_f, kcal/mol:	-33.83
Dipole, Da:	0.61
IP(EA), eV:	-9.81(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-2-[2-(chloromethyl)prop-2-enoxy]-4-methylbenzene

Drug info:

PubChemData

Smile

C=CCCOCC(=C)CCl

DOS

IR

Vibrations