Geometry & MOs

Info

ID:	141852
PubChem CID:	52938283
Reduced:	ClON7C33H38 (1)
Stoich.:	ABC7D33E38 (1)
Weight, g/mol:	547.305959
ΔH_f, kcal/mol:	62.47
Dipole, Da:	4.34
IP(EA), eV:	-8.07(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-[(8,9-diphenylpurin-6-yl)-methylamino]propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)CC(CN(C)C3=NC=NC4=C3N=C(N4C5=CC=CC=C5)C6=CC=CC=C6)O)C.Cl

DOS

IR

Vibrations