Geometry & MOs

Info

ID:	52163
PubChem CID:	12014959
Reduced:	O3C8H16 (1)
Stoich.:	A3B8C16 (1)
Weight, g/mol:	174.125594
ΔH_f, kcal/mol:	-165.01
Dipole, Da:	1.99
IP(EA), eV:	-10.13(1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-2-propan-2-yl-1,3-dioxan-4-ol

Drug info:

PubChemData

Smile

CCC1OCC(C(O1)O)(C)C

DOS

IR

Vibrations