Geometry & MOs

Info

ID:	256089
PubChem CID:	103136944
Reduced:	SN3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	283.087625
ΔH_f, kcal/mol:	75.74
Dipole, Da:	4.33
IP(EA), eV:	-8.16(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(3-chloro-4-methylphenyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations