Geometry & MOs

Info

ID:	255970
PubChem CID:	103135991
Reduced:	BrFN2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	280.137577
ΔH_f, kcal/mol:	33.46
Dipole, Da:	3.24
IP(EA), eV:	-9.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-3-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC(C1=C(C=C(C=C1)Br)F)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations