Geometry & MOs

Info

ID:	256321
PubChem CID:	103138448
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	4.5
Dipole, Da:	4.38
IP(EA), eV:	-8.3(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(1-methylsulfonylpropan-2-yl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

COCC1CCN(C1)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations