Geometry & MOs

Info

ID:	187730
PubChem CID:	77616308
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	382.21689
ΔH_f, kcal/mol:	-48.64
Dipole, Da:	4.06
IP(EA), eV:	-9.96(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(cyclohexylmethyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-3H-quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC=C(C)C(=O)N.C1CC2CC(C1)C2

DOS

IR

Vibrations