Geometry & MOs

Info

ID:	128908
PubChem CID:	51063495
Reduced:	N2O6C25H27 (2)
Stoich.:	A2B6C25D27 (2)
Weight, g/mol:	309.100108
ΔH_f, kcal/mol:	-241.27
Dipole, Da:	6.26
IP(EA), eV:	-7.4(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(/C(=C\NNC(=O)CC3=CC(=C(C=C3)OC)OC)/C(=O)C(=C2C(C)C)O)C(=C1C4=C(C\5=C(C=C4C)C(=C(C(=O)/C5=C\NNC(=O)CC6=CC(=C(C=C6)OC)OC)O)C(C)C)O)O

DOS

IR

Vibrations