Geometry & MOs

Info

ID:	193957
PubChem CID:	78459801
Reduced:	NO5C22H22 (1)
Stoich.:	AB5C22D22 (1)
Weight, g/mol:	409.225308
ΔH_f, kcal/mol:	-117.32
Dipole, Da:	15.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.886404
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylanilino)-1-oxopropan-2-yl] 4-oxo-4-(4-pentylphenyl)butanoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCC4

DOS

IR

Vibrations