Geometry & MOs

Info

ID:	36264
PubChem CID:	7983219
Reduced:	O7H20C23 (1)
Stoich.:	A7B20C23 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-228.82
Dipole, Da:	4.44
IP(EA), eV:	-9.1(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(diethylamino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)COC(=O)COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3

DOS

IR

Vibrations