Geometry & MOs

Info

ID:	382772
PubChem CID:	134974106
Reduced:	NC25H31 (1)
Stoich.:	AB25C31 (1)
Weight, g/mol:	336.23006
ΔH_f, kcal/mol:	22.07
Dipole, Da:	1.64
IP(EA), eV:	-8.13(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethoxy-5-ethyl-4-methoxy-3-methylphenyl)hexyl acetate

Drug info:

PubChemData

Smile

CCCCC(C1=CC=CC=C1)N/C=C\2/CCC[C@@H]3[C@H]2CC4=CC=CC=C34

DOS

IR

Vibrations