Geometry & MOs

Info

ID:	187928
PubChem CID:	77644501
Reduced:	N2O7C29H34 (1)
Stoich.:	A2B7C29D34 (1)
Weight, g/mol:	504.226037
ΔH_f, kcal/mol:	-233.42
Dipole, Da:	10.4
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-[2-[4-[2-[(3-cyanophenyl)methoxy]ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-2-hydroxyphenyl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)O.C1=CC(=CC(=C1)C#N)COCCOC2=CC=C(C=C2)CCNCC(C3=CC(=C(C=C3)O)CO)O

DOS

IR

Vibrations