Geometry & MOs

Info

ID:	217929
PubChem CID:	85088603
Reduced:	O6C23H40 (1)
Stoich.:	A6B23C40 (1)
Weight, g/mol:	412.282489
ΔH_f, kcal/mol:	-340.78
Dipole, Da:	4.65
IP(EA), eV:	-9.53(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[5-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1CCC2(CCC(C(O2)C(C)CCC(=O)OC)C)OC1CCC(C)OC(=O)C

DOS

IR

Vibrations