Geometry & MOs

Info

ID:	421469
PubChem CID:	135116060
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	249.15896
ΔH_f, kcal/mol:	38.32
Dipole, Da:	2.44
IP(EA), eV:	-8.49(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1N2CC[C@H]([C@@H](C2)O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations