Geometry & MOs

Info

ID:	339585
PubChem CID:	127261575
Reduced:	N2O2C17H26 (1)
Stoich.:	A2B2C17D26 (1)
Weight, g/mol:	338.22458
ΔH_f, kcal/mol:	-78.02
Dipole, Da:	2.14
IP(EA), eV:	-8.5(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethyl-4-(2-phenylpropan-2-yl)phenyl] hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1CCN(N1CC)C2=CC=CC=C2

DOS

IR

Vibrations