Geometry & MOs

Info

ID:	28921
PubChem CID:	830665
Reduced:	ON3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	204.053492
ΔH_f, kcal/mol:	4.97
Dipole, Da:	1.56
IP(EA), eV:	-9.08(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-5-nitroisoquinoline

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OC2=NC(=NC(=C2)C)N

DOS

IR

Vibrations