Geometry & MOs

Info

ID:	147023
PubChem CID:	53777094
Reduced:	NO3C6H9 (1)
Stoich.:	AB3C6D9 (1)
Weight, g/mol:	314.188195
ΔH_f, kcal/mol:	-116.45
Dipole, Da:	6.92
IP(EA), eV:	-10.13(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylhex-5-en-2-ynyl 2-(4-ethoxyphenyl)-3-methylbutanoate

Drug info:

PubChemData

Smile

CCOC=CC(=O)NC=O

DOS

IR

Vibrations