Geometry & MOs

Info

ID:	209620
PubChem CID:	80695068
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	208.101191
ΔH_f, kcal/mol:	-103.66
Dipole, Da:	2.49
IP(EA), eV:	-8.52(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-2-(2-fluoroethyl)-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

CCN(C1CC1)C(=O)COC(=O)CCC2=CC(=CC=C2)N

DOS

IR

Vibrations