Geometry & MOs

Info

ID:	390754
PubChem CID:	135000772
Reduced:	NO4H23C24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	140.120115
ΔH_f, kcal/mol:	-99.7
Dipole, Da:	1.53
IP(EA), eV:	-8.35(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4R,6R)-6-methylocta-2,7-dien-4-ol

Drug info:

PubChemData

Smile

CN1C(C(CC2=CC=CC=C21)(C(=O)OC)C(=O)OC)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations