Geometry & MOs

Info

ID:	361205
PubChem CID:	127302160
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	379.169605
ΔH_f, kcal/mol:	-56.01
Dipole, Da:	8.6
IP(EA), eV:	-9.05(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCCC(C3)C(=O)NCC4CC4

DOS

IR

Vibrations