Geometry & MOs

Info

ID:	144974
PubChem CID:	53442492
Reduced:	NO2C16H24 (2)
Stoich.:	AB2C16D24 (2)
Weight, g/mol:	309.14907
ΔH_f, kcal/mol:	-258.82
Dipole, Da:	5.43
IP(EA), eV:	-9.93(0.19)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-methyl-2-(4-pentylphenyl)phenyl]-2-oxoacetate

Drug info:

PubChemData

Smile

CC(C)(CCC(C)(C)N1C(=O)C2CCCC3C2C(C1=O)CCC3)N4C(=O)C5CCCC6C5C(C4=O)CCC6

DOS

IR

Vibrations