Geometry & MOs

Info

ID:	257147
PubChem CID:	103144061
Reduced:	NF2O2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-139.22
Dipole, Da:	2.54
IP(EA), eV:	-9.61(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-isoquinolin-8-ylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC2=C1C=NC=C2)(F)F

DOS

IR

Vibrations