Geometry & MOs

Info

ID:	403009
PubChem CID:	135058295
Reduced:	ClS2O3N4H23C30 (1)
Stoich.:	AB2C3D4E23F30 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	63.25
Dipole, Da:	5.04
IP(EA), eV:	-8.41(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-3,4-dipropylisoquinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=C(N3C4=NC=CC=N4)C(C5=CC=C(C=C5)Cl)NS(=O)(=O)C6=CC=CS6

DOS

IR

Vibrations