Geometry & MOs

Info

ID:	245018
PubChem CID:	99432145
Reduced:	N3O5H19C23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	370.152872
ΔH_f, kcal/mol:	-87.04
Dipole, Da:	2.91
IP(EA), eV:	-9.4(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C3=NN(C(=O)C=C3)C4=CC=CC=C4

DOS

IR

Vibrations