Geometry & MOs

Info

ID:	416926
PubChem CID:	135090797
Reduced:	N3O3C18H23 (2)
Stoich.:	A3B3C18D23 (2)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-235.57
Dipole, Da:	3.79
IP(EA), eV:	-8.83(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carbonyl]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C(=O)CN3C(=CC(=O)C4=CC=CC=C43)C)C(C)C

DOS

IR

Vibrations