Geometry & MOs

Info

ID:	195409
PubChem CID:	78682805
Reduced:	N3O3C17H28 (1)
Stoich.:	A3B3C17D28 (1)
Weight, g/mol:	397.152537
ΔH_f, kcal/mol:	-109.21
Dipole, Da:	7.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779312
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C[NH+](CC)CC(=O)NC1=CC=C(C=C1)OC

DOS

IR

Vibrations