Geometry & MOs

Info

ID:	415051
PubChem CID:	135088037
Reduced:	N2O4C13H14 (2)
Stoich.:	A2B4C13D14 (2)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-257.87
Dipole, Da:	5.27
IP(EA), eV:	-8.86(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-3-pyridin-3-ylpropan-1-one

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)CN5CCOC5=O

DOS

IR

Vibrations