Geometry & MOs

Info

ID:	339076
PubChem CID:	127260328
Reduced:	OH3C4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	409.225308
ΔH_f, kcal/mol:	-98.07
Dipole, Da:	6.89
IP(EA), eV:	-9.39(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[cyclohexyl(pentyl)amino]-2-hydroxybenzoyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)/C=C/C2=CC=C(C=C2)O)C(=O)O

DOS

IR

Vibrations