Geometry & MOs

Info

ID:	419417
PubChem CID:	135108136
Reduced:	SN2O6C15H22 (1)
Stoich.:	AB2C6D15E22 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-220.55
Dipole, Da:	4.89
IP(EA), eV:	-8.75(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC(=C(C=C2)OC)O

DOS

IR

Vibrations