Geometry & MOs

Info

ID:	256032
PubChem CID:	103136538
Reduced:	BrNO3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	268.10342
ΔH_f, kcal/mol:	-120.65
Dipole, Da:	3.94
IP(EA), eV:	-8.71(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-N-methyl-1-(5-methylthiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)CCN)Br)OCC2CCC(O2)C

DOS

IR

Vibrations