Geometry & MOs

Info

ID:	327740
PubChem CID:	126690933
Reduced:	SO2N3H26C29 (1)
Stoich.:	AB2C3D26E29 (1)
Weight, g/mol:	305.189198
ΔH_f, kcal/mol:	89.47
Dipole, Da:	4.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.477235
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2-piperazin-1-yl-4H-quinoline

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=C(C=CC=C3OC)OC)SC1=CC4=CC(=[N+](C5=CC=CC=C54)CC#C)N

DOS

IR

Vibrations