Geometry & MOs

Info

ID:	396004
PubChem CID:	135027179
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-121.19
Dipole, Da:	2.44
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(oxan-2-yloxy)but-3-en-2-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(=O)C(=O)NC2CCCCC2

DOS

IR

Vibrations