Geometry & MOs

Info

ID:	21960
PubChem CID:	594375
Reduced:	NOH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	159.068414
ΔH_f, kcal/mol:	10.28
Dipole, Da:	4.66
IP(EA), eV:	-8.74(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxyisoquinoline

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=CN=C2

DOS

IR

Vibrations