Geometry & MOs

Info

ID:	421659
PubChem CID:	135116390
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	374.114568
ΔH_f, kcal/mol:	-34.97
Dipole, Da:	3.65
IP(EA), eV:	-8.83(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CN1)C(=O)C2CCCCCC2

DOS

IR

Vibrations