Geometry & MOs

Info

ID:	215911
PubChem CID:	85085428
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	188.141244
ΔH_f, kcal/mol:	-27.23
Dipole, Da:	3.04
IP(EA), eV:	-9.52(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-diethoxyhex-4-en-3-ol

Drug info:

PubChemData

Smile

CC(=CCCC1=COC=C1)C(C#N)O

DOS

IR

Vibrations