Geometry & MOs

Info

ID:	320131
PubChem CID:	126658431
Reduced:	OF3N5C22H22 (1)
Stoich.:	AB3C5D22E22 (1)
Weight, g/mol:	325.0717
ΔH_f, kcal/mol:	-66.23
Dipole, Da:	3.76
IP(EA), eV:	-9.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)amino]butanoate

Drug info:

PubChemData

Smile

CCC1=CN=CC(=C(C1)C)C2=C(C=C(C=C2)C(F)(F)F)OC3=NN(C(=N)C=C3C)C=N

DOS

IR

Vibrations