Geometry & MOs

Info

ID:	150316
PubChem CID:	53790004
Reduced:	O2N3C27H29 (1)
Stoich.:	A2B3C27D29 (1)
Weight, g/mol:	332.162374
ΔH_f, kcal/mol:	-34.1
Dipole, Da:	3.19
IP(EA), eV:	-9.19(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyloxybut-2-ynyl 2-(4-ethoxyphenyl)-3-methylbutanoate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

DOS

IR

Vibrations