Geometry & MOs

Info

ID:	411514
PubChem CID:	135084345
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-38.22
Dipole, Da:	0.82
IP(EA), eV:	-8.86(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylocta-1,7-dien-3-yl acetate

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@@H](O2)CC1OC3=CC=CC=C3

DOS

IR

Vibrations