Geometry & MOs

Info

ID:	407758
PubChem CID:	135080513
Reduced:	O2C4H7 (2)
Stoich.:	A2B4C7 (2)
Weight, g/mol:	158.13068
ΔH_f, kcal/mol:	-201.9
Dipole, Da:	4.29
IP(EA), eV:	-10.42(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methyloxiran-2-yl)methyl]pentan-3-ol

Drug info:

PubChemData

Smile

CC(=O)OC1CCC[C@@H]([C@@H]1O)O

DOS

IR

Vibrations