Geometry & MOs

Info

ID:	322828
PubChem CID:	126671278
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-72.67
Dipole, Da:	4.86
IP(EA), eV:	-8.53(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(methylamino)ethyl]-1-benzofuran-6-yl]propan-2-one

Drug info:

PubChemData

Smile

CC(=O)COCC1=CC=C(C=C1)OC2=CC=CC(=C2)NC

DOS

IR

Vibrations