Geometry & MOs

Info

ID:	393955
PubChem CID:	135022044
Reduced:	O3C23H26 (1)
Stoich.:	A3B23C26 (1)
Weight, g/mol:	236.156501
ΔH_f, kcal/mol:	-73.27
Dipole, Da:	3.7
IP(EA), eV:	-8.3(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethyl-2-[(E)-2-methyl-3-phenylprop-2-enyl]benzene

Drug info:

PubChemData

Smile

COC1=C(C=C\2C(=C1)COC3(/C2=C\C4=CC=CC=C4)CCCCC3)OC

DOS

IR

Vibrations