Geometry & MOs

Info

ID:	247635
PubChem CID:	103072498
Reduced:	F3N3C11H14 (1)
Stoich.:	A3B3C11D14 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-88.88
Dipole, Da:	5.46
IP(EA), eV:	-9.51(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(methylaminomethyl)prop-2-enyl]-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

C=C(CNC1CC1)CN2C=C(C=N2)C(F)(F)F

DOS

IR

Vibrations