Geometry & MOs

Info

ID:	189310
PubChem CID:	77840367
Reduced:	O2C3H4 (3)
Stoich.:	A2B3C4 (3)
Weight, g/mol:	512.350175
ΔH_f, kcal/mol:	-217.63
Dipole, Da:	2.34
IP(EA), eV:	-9.17(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[6-(5,9-dimethyl-3-oxodeca-1,8-dienyl)-5-(oxan-2-yloxy)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pent-4-enoate

Drug info:

PubChemData

Smile

CC=C(C(C1C(=C(C(=O)O1)O)OC)O)O

DOS

IR

Vibrations