Geometry & MOs

Info

ID:	421148
PubChem CID:	135115447
Reduced:	N4O7C28H32 (1)
Stoich.:	A4B7C28D32 (1)
Weight, g/mol:	350.195405
ΔH_f, kcal/mol:	-234.73
Dipole, Da:	1.73
IP(EA), eV:	-8.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(1S,5R)-9-butyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione

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)CN5CCCCC5=O

DOS

IR

Vibrations