Geometry & MOs

Info

ID:	305616
PubChem CID:	124962571
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-53.7
Dipole, Da:	4.44
IP(EA), eV:	-8.58(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methyl]oxan-4-ol

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)CC(=O)N3CC[C@](C3)(CN(C)C)O

DOS

IR

Vibrations