Geometry & MOs

Info

ID:	217764
PubChem CID:	85088348
Reduced:	SiO2C25H36 (1)
Stoich.:	AB2C25D36 (1)
Weight, g/mol:	396.133966
ΔH_f, kcal/mol:	-118.44
Dipole, Da:	1.86
IP(EA), eV:	-8.85(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-hydroxy-2,2-dimethyl-3b,5,6,6a,7,7a-hexahydro-3aH-pentaleno[1,2-d][1,3]dioxol-4-yl)-methoxymethyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC(CC1=CC=CC=C1)C(C=CCC2=CC=CC=C2)O

DOS

IR

Vibrations