Geometry & MOs

Info

ID:	32496
PubChem CID:	7839623
Reduced:	O5H22C25 (1)
Stoich.:	A5B22C25 (1)
Weight, g/mol:	309.100108
ΔH_f, kcal/mol:	-123.87
Dipole, Da:	6.72
IP(EA), eV:	-9.44(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-cyanoethyl] 2-(4-benzoylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)COC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations