Geometry & MOs

Info

ID:	396698
PubChem CID:	135029046
Reduced:	O3C17H25 (1)
Stoich.:	A3B17C25 (1)
Weight, g/mol:	312.223866
ΔH_f, kcal/mol:	-109.09
Dipole, Da:	4.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755281
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-[(1S,2S)-2-[5-deuteriooxy-5-(trideuteriomethoxy)pent-1-en-2-yl]-2-methyl-3-oxocyclopentyl]-2-methylpent-2-enal

Drug info:

PubChemData

Smile

C[C](CCC=O)[C@@]1([C@H](CCC1=O)CC/C=C(\C)/C=O)C

DOS

IR

Vibrations