Geometry & MOs

Info

ID:	5984
PubChem CID:	14218
Reduced:	O2C5H10 (2)
Stoich.:	A2B5C10 (2)
Weight, g/mol:	204.136159
ΔH_f, kcal/mol:	-213.64
Dipole, Da:	2.2
IP(EA), eV:	-10.48(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(CO)COC(=O)C(C)(C)CO

DOS

IR

Vibrations