Geometry & MOs

Info

ID:	81608
PubChem CID:	49854917
Reduced:	ON2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	474.14741
ΔH_f, kcal/mol:	45.25
Dipole, Da:	2.1
IP(EA), eV:	-8.0(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CCCC2=CN(C3=CC=CC=C32)OC

DOS

IR

Vibrations