Geometry & MOs

Info

ID:	386594
PubChem CID:	134982264
Reduced:	O5H17C18 (1)
Stoich.:	A5B17C18 (1)
Weight, g/mol:	336.266445
ΔH_f, kcal/mol:	-135.2
Dipole, Da:	3.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.924855
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2R)-6-[(2E,4E)-trideca-2,4-dien-2-yl]oxan-2-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C([CH]1)C2=CC=CC=C2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations