Geometry & MOs

Info

ID:	192409
PubChem CID:	78266707
Reduced:	N2O2H18C23 (1)
Stoich.:	A2B2C18D23 (1)
Weight, g/mol:	479.151775
ΔH_f, kcal/mol:	58.72
Dipole, Da:	3.39
IP(EA), eV:	-8.62(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2,4-dichlorophenyl)methyl]-4-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]pyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

C=C1C(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N(N1)C4=CC=CC=C4

DOS

IR

Vibrations