Geometry & MOs

Info

ID:	406200
PubChem CID:	135076862
Reduced:	IO3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	356.07758
ΔH_f, kcal/mol:	-65.61
Dipole, Da:	1.91
IP(EA), eV:	-9.15(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-bromoprop-2-enoxy)-3-methylbut-3-enyl]-4-phenylbenzene

Drug info:

PubChemData

Smile

CC1=CCC[C@@]1(COCC2=CC=CC=C2)C(=O)OC3=C(C=C(C=C3)C)I

DOS

IR

Vibrations