Geometry & MOs

Info

ID:	59101
PubChem CID:	24770944
Reduced:	OF3N4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	293.105193
ΔH_f, kcal/mol:	-147.1
Dipole, Da:	5.34
IP(EA), eV:	-8.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethoxyisoquinolin-5-yl) benzoate

Drug info:

PubChemData

Smile

CC(C)CC1=C(C=CC(=C1)C(F)(F)F)CNC(=O)NC2=C3C=NN(C3=CC=C2)C

DOS

IR

Vibrations