Geometry & MOs

Info

ID:	47774
PubChem CID:	10535196
Reduced:	ON2H8C10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	172.14633
ΔH_f, kcal/mol:	47.82
Dipole, Da:	3.54
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenyloctane-1,2-diol

Drug info:

PubChemData

Smile

CC1=COC(=C1C#N)N2C=CC=C2

DOS

IR

Vibrations