Geometry & MOs

Info

ID:	172017
PubChem CID:	75455224
Reduced:	ClO2N6C20H29 (1)
Stoich.:	AB2C6D20E29 (1)
Weight, g/mol:	435.02055
ΔH_f, kcal/mol:	-58.24
Dipole, Da:	6.66
IP(EA), eV:	-8.32(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[6-bromo-8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

CC(CN(C)C1=NC(=NC2=C1C=C(C=C2)Cl)N(C)CC(C)C(=O)NC)C(=O)NC

DOS

IR

Vibrations