Geometry & MOs

Info

ID:	194577
PubChem CID:	78558362
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	351.147058
ΔH_f, kcal/mol:	-121.0
Dipole, Da:	7.24
IP(EA), eV:	-8.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-methylanilino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=C(NC4=CC=CC=C43)C

DOS

IR

Vibrations