Geometry & MOs

Info

ID:	339079
PubChem CID:	127260331
Reduced:	NO4C26H35 (1)
Stoich.:	AB4C26D35 (1)
Weight, g/mol:	403.178358
ΔH_f, kcal/mol:	-167.39
Dipole, Da:	3.5
IP(EA), eV:	-8.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-butyl-N-methylanilino)-2-hydroxybenzoyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCC(CC)(COC(=O)C1=CC=CC=C1)C(=O)C2=C(C=C(C=C2)N(CC)CC)O

DOS

IR

Vibrations