Geometry & MOs

Info

ID:	422285
PubChem CID:	135117557
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	275.210996
ΔH_f, kcal/mol:	-107.38
Dipole, Da:	4.85
IP(EA), eV:	-8.81(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,5-trimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC(=CS3)CO)C(=O)O

DOS

IR

Vibrations