Geometry & MOs

Info

ID:	402292
PubChem CID:	135055364
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-131.83
Dipole, Da:	4.23
IP(EA), eV:	-9.22(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-4-methylidene-6-phenylmethoxyhexanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC/C/1=C/C(=O)N2CCC[C@H]2/C=C\C1

DOS

IR

Vibrations