Geometry & MOs

Info

ID:	399836
PubChem CID:	135043063
Reduced:	BO3H25C38 (1)
Stoich.:	AB3C25D38 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-32.17
Dipole, Da:	1.44
IP(EA), eV:	-8.59(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-(5-methylhex-2-enyl)benzene

Drug info:

PubChemData

Smile

B1(OC2=C(C(=CC3=CC=CC=C32)C4=CC=CC=C4)C5=C(O1)C6=CC=CC=C6C=C5C7=CC=CC=C7)OC8=CC=CC=C8

DOS

IR

Vibrations