Geometry & MOs

Info

ID:	179113
PubChem CID:	76435035
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	397.202637
ΔH_f, kcal/mol:	-31.08
Dipole, Da:	4.67
IP(EA), eV:	-9.09(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(7H-purin-6-yl)piperidin-3-ol

Drug info:

PubChemData

Smile

C1CC(=O)NCC1C2=CC=CC3=C2CCNC3

DOS

IR

Vibrations