Geometry & MOs

Info

ID:	257096
PubChem CID:	103143748
Reduced:	N3C17H17 (1)
Stoich.:	A3B17C17 (1)
Weight, g/mol:	330.01679
ΔH_f, kcal/mol:	72.56
Dipole, Da:	4.5
IP(EA), eV:	-9.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-isoquinolin-8-ylmethanamine

Drug info:

PubChemData

Smile

CCC1=C(C=CN=C1)C(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations