Geometry & MOs

Info

ID:	22308
PubChem CID:	596572
Reduced:	NO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	301.131408
ΔH_f, kcal/mol:	-145.41
Dipole, Da:	5.98
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-methyl-5-(2-methylpropyl)furan-3-carbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CC(C)C)C(=O)NC2=CC=CC(=C2)C(=O)O

DOS

IR

Vibrations