Geometry & MOs

Info

ID:	320230
PubChem CID:	126658826
Reduced:	FN6C21H21 (1)
Stoich.:	AB6C21D21 (1)
Weight, g/mol:	629.278712
ΔH_f, kcal/mol:	98.93
Dipole, Da:	4.99
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyloctyl 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxoquinoline-1-carboxylate

Drug info:

PubChemData

Smile

CC1CC1C2=CN=C(N=C2N)C3=C(N=CC=C3)N(CC4=CC=CC=C4F)N=C

DOS

IR

Vibrations