Geometry & MOs

Info

ID:	435097
PubChem CID:	135180342
Reduced:	Cl2O5N6C27H30 (1)
Stoich.:	A2B5C6D27E30 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-114.82
Dipole, Da:	5.52
IP(EA), eV:	-8.3(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-(ethylamino)ethoxy]-1-benzofuran-2-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=NC3=CN=C(C=C3C(=N2)NCC4CCCO4)N[C@@H]5COC[C@@H]5NC(=O)C=C)Cl)OC

DOS

IR

Vibrations