Geometry & MOs

Info

ID:	403728
PubChem CID:	135061526
Reduced:	NOC21H31 (1)
Stoich.:	ABC21D31 (1)
Weight, g/mol:	348.163791
ΔH_f, kcal/mol:	-56.63
Dipole, Da:	6.71
IP(EA), eV:	-8.49(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=CC2=C(N1C)C=CC(=C2)C(=O)C

DOS

IR

Vibrations