Geometry & MOs

Info

ID:	256161
PubChem CID:	103137452
Reduced:	BrClN2H12C16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	226.146999
ΔH_f, kcal/mol:	75.19
Dipole, Da:	2.97
IP(EA), eV:	-9.3(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-N-methyl-1-(2-methylcyclopropyl)methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations