Geometry & MOs

Info

ID:	340582
PubChem CID:	127262593
Reduced:	NOF4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	249.055656
ΔH_f, kcal/mol:	-211.65
Dipole, Da:	2.25
IP(EA), eV:	-9.56(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1-chloroisoquinolin-7-yl)acetate

Drug info:

PubChemData

Smile

C1CC1(C2=C(C=C(C=C2)OC(F)(F)F)F)N

DOS

IR

Vibrations