Geometry & MOs

Info

ID:	257097
PubChem CID:	103143752
Reduced:	BrFN2H12C16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	252.137497
ΔH_f, kcal/mol:	33.71
Dipole, Da:	1.71
IP(EA), eV:	-9.31(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-N-methyl-1-(3-methylimidazol-4-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=CC(=C(C=C3)F)Br)N

DOS

IR

Vibrations