Geometry & MOs

Info

ID:	411311
PubChem CID:	135084124
Reduced:	NO2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	188.141244
ΔH_f, kcal/mol:	-78.73
Dipole, Da:	5.5
IP(EA), eV:	-10.18(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,3-dimethyloxiran-2-yl)ethyl]butane-1,4-diol

Drug info:

PubChemData

Smile

CCCCC#C/C(=N\C(=O)OCC)/C(C)(C)C

DOS

IR

Vibrations