Geometry & MOs

Info

ID:	417363
PubChem CID:	135092738
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-112.51
Dipole, Da:	1.41
IP(EA), eV:	-8.24(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C4=C(C=CC=N4)C(=O)N)OC

DOS

IR

Vibrations