Geometry & MOs

Info

ID:	406455
PubChem CID:	135077667
Reduced:	ClO2C16H29 (1)
Stoich.:	AB2C16D29 (1)
Weight, g/mol:	380.201901
ΔH_f, kcal/mol:	-147.83
Dipole, Da:	2.7
IP(EA), eV:	-9.91(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(2,2-dimethyl-4-prop-2-ynoxy-4-prop-1-ynyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl)methoxy]-dimethylsilane

Drug info:

PubChemData

Smile

CCC(CC)[C@H]1CC[C@H]([C@H](O1)CC(C)(C)CC=O)Cl

DOS

IR

Vibrations