Geometry & MOs

Info

ID:	149949
PubChem CID:	53789631
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	234.052823
ΔH_f, kcal/mol:	-24.0
Dipole, Da:	4.94
IP(EA), eV:	-8.16(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 1,3-dioxo-2-benzofuran-5-carboxylate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(=O)N(CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)N

DOS

IR

Vibrations