Geometry & MOs

Info

ID:	256865
PubChem CID:	103141947
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-6.57
Dipole, Da:	10.6
IP(EA), eV:	-9.0(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylsulfanylbutan-2-yl)-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

C1CC(C1)(CNC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations