Geometry & MOs

Info

ID:	381032
PubChem CID:	134971657
Reduced:	OC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	398.266839
ΔH_f, kcal/mol:	-107.75
Dipole, Da:	1.58
IP(EA), eV:	-9.73(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[(4R)-4-[3-(2-hexyl-1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxan-5-ylidene]acetate

Drug info:

PubChemData

Smile

CCCCCCC1(OCCO1)CC=C

DOS

IR

Vibrations