Geometry & MOs

Info

ID:	256102
PubChem CID:	103137024
Reduced:	ClON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	263.142248
ΔH_f, kcal/mol:	29.82
Dipole, Da:	3.03
IP(EA), eV:	-8.35(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2,5-dimethylphenyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations