Geometry & MOs

Info

ID:	422369
PubChem CID:	135117702
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	316.099397
ΔH_f, kcal/mol:	-23.99
Dipole, Da:	5.23
IP(EA), eV:	-9.66(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations