Geometry & MOs

Info

ID:	256088
PubChem CID:	103136942
Reduced:	Cl2N3H11C15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	281.098669
ΔH_f, kcal/mol:	58.24
Dipole, Da:	4.65
IP(EA), eV:	-8.34(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(3-methylsulfanylphenyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NC2=C3C=NC=CC3=C(C=C2)N)Cl

DOS

IR

Vibrations