Geometry & MOs

Info

ID:	320232
PubChem CID:	126658830
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	599.268148
ΔH_f, kcal/mol:	-63.59
Dipole, Da:	6.99
IP(EA), eV:	-9.11(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1-(2,2,3,5-tetramethylhexanoyl)quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC=C1)OC2=CC(=O)NC(=C2)C(C)C

DOS

IR

Vibrations