Geometry & MOs

Info

ID:	419216
PubChem CID:	135107758
Reduced:	ON6C19H26 (1)
Stoich.:	AB6C19D26 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	10.18
Dipole, Da:	9.63
IP(EA), eV:	-8.79(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=O)C=C(N1)CN2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations