Geometry & MOs

Info

ID:	435039
PubChem CID:	135178499
Reduced:	ON10C28H28 (1)
Stoich.:	AB10C28D28 (1)
Weight, g/mol:	504.262422
ΔH_f, kcal/mol:	187.75
Dipole, Da:	9.66
IP(EA), eV:	-8.63(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[2-(2-hydroxyethoxy)ethoxy]-1-(4-tritylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N2CCN(CC2)/C(=C/C=C(\C)/C3=CC(=CN4C3=C(C=N4)C#N)C5=CN(N=C5)C)/N=C

DOS

IR

Vibrations