Geometry & MOs

Info

ID:	296463
PubChem CID:	117576285
Reduced:	N6C13H20 (1)
Stoich.:	A6B13C20 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	58.26
Dipole, Da:	6.44
IP(EA), eV:	-8.7(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-(butan-2-ylamino)pyrimidin-4-yl]piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C#N)NC1=CC(=NC=N1)N2CCN(CC2)C

DOS

IR

Vibrations