Geometry & MOs

Info

ID:	122213
PubChem CID:	50798140
Reduced:	FON4H27C28 (1)
Stoich.:	ABC4D27E28 (1)
Weight, g/mol:	373.09819
ΔH_f, kcal/mol:	13.31
Dipole, Da:	4.01
IP(EA), eV:	-8.7(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)CC5=CC=CC=C5F

DOS

IR

Vibrations