Geometry & MOs

Info

ID:	187604
PubChem CID:	77595947
Reduced:	SN5O5C31H37 (1)
Stoich.:	AB5C5D31E37 (1)
Weight, g/mol:	523.248936
ΔH_f, kcal/mol:	-148.14
Dipole, Da:	14.49
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethoxy)-4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]benzoic acid;hydrochloride

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)CNC(=O)C2CN(CCN2S(=O)(=O)C3=CC4=C(CCCCC4)C=C3)C5=NC=C(N=C5)C(=O)O

DOS

IR

Vibrations