Geometry & MOs

Info

ID:	152130
PubChem CID:	56310994
Reduced:	O3N4C27H36 (1)
Stoich.:	A3B4C27D36 (1)
Weight, g/mol:	377.190341
ΔH_f, kcal/mol:	-103.84
Dipole, Da:	5.96
IP(EA), eV:	-7.95(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations