Geometry & MOs

Info

ID:	364725
PubChem CID:	127316031
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	353.165188
ΔH_f, kcal/mol:	0.11
Dipole, Da:	1.82
IP(EA), eV:	-9.01(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-fluoro-2-methylquinolin-3-yl)-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations