Geometry & MOs

Info

ID:	130819
PubChem CID:	51113936
Reduced:	OF3N5H14C16 (1)
Stoich.:	AB3C5D14E16 (1)
Weight, g/mol:	402.241962
ΔH_f, kcal/mol:	-118.48
Dipole, Da:	4.23
IP(EA), eV:	-9.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-8-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C(=O)NCCNC3=NC=C(C=C3)C(F)(F)F)NN=C2

DOS

IR

Vibrations