Geometry & MOs

Info

ID:	323957
PubChem CID:	126676670
Reduced:	F3N3O3H22C24 (1)
Stoich.:	A3B3C3D22E24 (1)
Weight, g/mol:	217.073893
ΔH_f, kcal/mol:	-184.89
Dipole, Da:	1.37
IP(EA), eV:	-8.79(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methoxyisoquinoline-7-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC2=CN=C(N=C21)C3=CC=C(C=C3)OCC4=CC=CC=C4OC(F)(F)F)CCC=O

DOS

IR

Vibrations