Geometry & MOs

Info

ID:	186293
PubChem CID:	77414671
Reduced:	ClO6C23H31 (1)
Stoich.:	AB6C23D31 (1)
Weight, g/mol:	593.240497
ΔH_f, kcal/mol:	-281.51
Dipole, Da:	10.12
IP(EA), eV:	-9.24(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(N-[2-hydroxy-3-(2-phenylmethoxyphenoxy)propyl]anilino)ethyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C(CC34C)Cl)O)C)O

DOS

IR

Vibrations