Geometry & MOs

Info

ID:	298017
PubChem CID:	117646992
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	392.20124
ΔH_f, kcal/mol:	-6.44
Dipole, Da:	2.3
IP(EA), eV:	-9.08(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(2S)-2,5-dimethylpiperazin-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)CC2=CC3=C(C=C2)C(=CC(=N3)C(=O)N)C4=CN(N=C4)C

DOS

IR

Vibrations