Geometry & MOs

Info

ID:	373554
PubChem CID:	131317012
Reduced:	ClNOH2F6C7 (1)
Stoich.:	ABCD2E6F7 (1)
Weight, g/mol:	239.071306
ΔH_f, kcal/mol:	-322.65
Dipole, Da:	1.96
IP(EA), eV:	-10.67(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-chloro-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)OC(F)(F)F)F)Cl)C(F)F

DOS

IR

Vibrations