Geometry & MOs

Info

ID:	256867
PubChem CID:	103141980
Reduced:	N2O3C14H24 (1)
Stoich.:	A2B3C14D24 (1)
Weight, g/mol:	282.022977
ΔH_f, kcal/mol:	-162.01
Dipole, Da:	1.85
IP(EA), eV:	-9.54(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1-chloropropan-2-ylsulfanyl)-5-nitroisoquinoline

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)NCC(=O)N1CC2CCC(O2)C

DOS

IR

Vibrations