Geometry & MOs

Info

ID:	147975
PubChem CID:	53787636
Reduced:	NO2C29H35 (1)
Stoich.:	AB2C29D35 (1)
Weight, g/mol:	331.105587
ΔH_f, kcal/mol:	-38.88
Dipole, Da:	8.08
IP(EA), eV:	-9.64(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(3-methyl-4-nitrophenoxy)phenoxy]propanoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C=CCCC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations