Geometry & MOs

Info

ID:	421760
PubChem CID:	135116552
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-23.12
Dipole, Da:	8.07
IP(EA), eV:	-9.8(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-dimethylpyrimidin-5-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations