Geometry & MOs

Info

ID:	277335
PubChem CID:	103827933
Reduced:	BrON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	342.03678
ΔH_f, kcal/mol:	11.94
Dipole, Da:	5.0
IP(EA), eV:	-8.78(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-5-methoxyphenyl)methyl]isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(C)NCC2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations