Geometry & MOs

Info

ID:	416670
PubChem CID:	135089999
Reduced:	ON6C17H22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	49.98
Dipole, Da:	5.02
IP(EA), eV:	-9.18(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-2-oxoethyl]quinolin-4-one

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2CC2)NC3=NC(=CN=C3)C(=O)N4CCCC4

DOS

IR

Vibrations