Geometry & MOs

Info

ID:	174459
PubChem CID:	75765770
Reduced:	O2N5C17H28 (1)
Stoich.:	A2B5C17D28 (1)
Weight, g/mol:	286.143463
ΔH_f, kcal/mol:	-50.55
Dipole, Da:	2.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755643
Charge, e:	1

Chem-info

IUPAC name:

1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-piperidin-1-ium-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

CC(C(=O)NC(C)(C)C)[NH+]1CCC(CC1)C(=O)NC2=NC=CN=C2

DOS

IR

Vibrations