Geometry & MOs

Info

ID:	289232
PubChem CID:	104341215
Reduced:	O3N4C13H22 (1)
Stoich.:	A3B4C13D22 (1)
Weight, g/mol:	278.210661
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	5.26
IP(EA), eV:	-8.94(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-tert-butylpiperidin-1-yl)-2-(methoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COC)NCCC(=O)OCC

DOS

IR

Vibrations