Geometry & MOs

Info

ID:	415461
PubChem CID:	135088456
Reduced:	O2N5C16H17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	308.148455
ΔH_f, kcal/mol:	12.52
Dipole, Da:	7.87
IP(EA), eV:	-9.65(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CN=C(C=C3)C#N

DOS

IR

Vibrations