Geometry & MOs

Info

ID:	419852
PubChem CID:	135109387
Reduced:	N3O5H15C16 (1)
Stoich.:	A3B5C15D16 (1)
Weight, g/mol:	361.21139
ΔH_f, kcal/mol:	-90.83
Dipole, Da:	8.45
IP(EA), eV:	-9.85(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)CC3=NOC(=N3)C4=CC=CC=C4)C(=O)O)C(=O)O

DOS

IR

Vibrations