Geometry & MOs

Info

ID:	323723
PubChem CID:	126675823
Reduced:	BrFNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	285.092042
ΔH_f, kcal/mol:	-130.94
Dipole, Da:	1.83
IP(EA), eV:	-9.75(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CC(C1(C2=CC=CC(=C2)CO)O)F)Br

DOS

IR

Vibrations