Geometry & MOs

Info

ID:	222181
PubChem CID:	85294995
Reduced:	O4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-165.16
Dipole, Da:	5.37
IP(EA), eV:	-10.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxypenta-1,3-dienyl)-4-methylbenzene

Drug info:

PubChemData

Smile

CCC1C2C(C(O1)O)OC(=O)C2=C

DOS

IR

Vibrations