Geometry & MOs

Info

ID:	22178
PubChem CID:	596160
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	-138.45
Dipole, Da:	8.83
IP(EA), eV:	-9.24(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carbonyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)CCCC2)C(=O)NC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations