Geometry & MOs

Info

ID:	364567
PubChem CID:	127315819
Reduced:	ON4C18H30 (1)
Stoich.:	AB4C18D30 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-53.88
Dipole, Da:	3.15
IP(EA), eV:	-8.58(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyloxolan-3-yl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CCC(C(C1)C)NC2=CC(=NC=N2)N3CCCC(C3)CO

DOS

IR

Vibrations