Geometry & MOs

Info

ID:	365159
PubChem CID:	127316963
Reduced:	N7C12H17 (1)
Stoich.:	A7B12C17 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	140.74
Dipole, Da:	9.27
IP(EA), eV:	-9.2(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-(4-cyclobutylpiperazin-1-yl)pyrimidin-4-yl]piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C3=NN4C(=NN=N4)C=C3

DOS

IR

Vibrations