Geometry & MOs

Info

ID:	288179
PubChem CID:	104312691
Reduced:	BrON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	341.05276
ΔH_f, kcal/mol:	14.91
Dipole, Da:	1.54
IP(EA), eV:	-8.68(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromopyridin-2-yl)-isoquinolin-4-ylmethyl]ethanamine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=CC=C1)OC)C2=NC=C(C=C2)Br

DOS

IR

Vibrations