Geometry & MOs

Info

ID:	256483
PubChem CID:	103139535
Reduced:	N4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	335.98719
ΔH_f, kcal/mol:	70.78
Dipole, Da:	7.12
IP(EA), eV:	-8.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-iodopyrazol-1-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CCCC1=NC=CN1C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations