Geometry & MOs

Info

ID:	256160
PubChem CID:	103137448
Reduced:	N2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	345.98724
ΔH_f, kcal/mol:	78.27
Dipole, Da:	2.73
IP(EA), eV:	-9.17(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-2-chlorophenyl)-isoquinolin-8-ylmethanamine

Drug info:

PubChemData

Smile

C1CCC2C(C1)C2C(C3=CC=CC4=C3C=NC=C4)N

DOS

IR

Vibrations