Geometry & MOs

Info

ID:	19081
PubChem CID:	554337
Reduced:	O4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	188.104859
ΔH_f, kcal/mol:	-198.22
Dipole, Da:	3.22
IP(EA), eV:	-10.45(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-(hydroxymethyl)-5-methyl-1,3-dioxolan-4-one

Drug info:

PubChemData

Smile

CC1(C(=O)OC(O1)C(C)(C)C)CO

DOS

IR

Vibrations