Geometry & MOs

Info

ID:	231583
PubChem CID:	87574204
Reduced:	O3F8C11H12 (1)
Stoich.:	A3B8C11D12 (1)
Weight, g/mol:	248.035255
ΔH_f, kcal/mol:	-527.49
Dipole, Da:	5.52
IP(EA), eV:	-10.79(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-6,7-dimethoxyisoquinoline-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C=C(C)C(=O)O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations