Geometry & MOs

Info

ID:	421494
PubChem CID:	135116117
Reduced:	N3O5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-149.63
Dipole, Da:	9.87
IP(EA), eV:	-9.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-(2-methyl-5-propan-2-ylpyrimidin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=N1)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations