Geometry & MOs

Info

ID:	236320
PubChem CID:	92712342
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	-56.56
Dipole, Da:	6.51
IP(EA), eV:	-9.39(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NC1=C(C=C(C=C1C)C)C)N2C=NC3=C(C2=O)C(=NO3)C

DOS

IR

Vibrations