Geometry & MOs

Info

ID:	395771
PubChem CID:	135026486
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	281.09644
ΔH_f, kcal/mol:	-108.44
Dipole, Da:	5.16
IP(EA), eV:	-8.35(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,3E)-7-fluoro-3-(1-nitrosoethylidene)-2-(1H-pyridin-2-ylidene)quinoline

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2(C/C(=C/3\C=CC=CC3=O)/NCCN2)N(C1=O)C(C)C

DOS

IR

Vibrations