Geometry & MOs

Info

ID:	430008
PubChem CID:	135170065
Reduced:	FN3C19H20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	22.57
Dipole, Da:	2.49
IP(EA), eV:	-8.74(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-4-azatricyclo[4.3.1.13,8]undecan-5-ylidenemethyl]iminoquinolin-6-one

Drug info:

PubChemData

Smile

C/C=C\C(=C)C1=NC2=C(CCCC2)C(=N1)NC3=CC(=CC=C3)F

DOS

IR

Vibrations