Geometry & MOs

Info

ID:	256127
PubChem CID:	103137240
Reduced:	NC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	313.02146
ΔH_f, kcal/mol:	82.01
Dipole, Da:	4.44
IP(EA), eV:	-8.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromopyridin-2-yl)-isoquinolin-8-ylmethanamine

Drug info:

PubChemData

Smile

CC(C1=CN=CC=C1)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations