Geometry & MOs

Info

ID:	122212
PubChem CID:	50798139
Reduced:	ON4C24H28 (1)
Stoich.:	AB4C24D28 (1)
Weight, g/mol:	454.21689
ΔH_f, kcal/mol:	24.88
Dipole, Da:	4.32
IP(EA), eV:	-8.69(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4

DOS

IR

Vibrations