Geometry & MOs

Info

ID:	122219
PubChem CID:	50798146
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	357.12774
ΔH_f, kcal/mol:	16.22
Dipole, Da:	3.06
IP(EA), eV:	-9.03(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=CC=N3

DOS

IR

Vibrations