Geometry & MOs

Info

ID:	256179
PubChem CID:	103137565
Reduced:	BrON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	282.11907
ΔH_f, kcal/mol:	46.49
Dipole, Da:	3.23
IP(EA), eV:	-9.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl-(5-methylthiophen-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC2=C1C=NC=C2)C3=CC=C(O3)Br

DOS

IR

Vibrations