Geometry & MOs

Info

ID:	244999
PubChem CID:	99432034
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-74.76
Dipole, Da:	5.94
IP(EA), eV:	-8.69(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[2-(N-methylanilino)acetyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1C2=NC=CC(=C2)C(=O)NCC3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations