Geometry & MOs

Info

ID:	325297
PubChem CID:	126682516
Reduced:	O3N6C21H26 (1)
Stoich.:	A3B6C21D26 (1)
Weight, g/mol:	602.329063
ΔH_f, kcal/mol:	-71.35
Dipole, Da:	9.93
IP(EA), eV:	-8.69(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-N-butyl-2-oxo-N-pentylquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C2N1C=C(NC2=O)CCCC(=O)N3CCC(CC3)C(=O)C4=NC=CN4C

DOS

IR

Vibrations