Geometry & MOs

Info

ID:	256366
PubChem CID:	103138784
Reduced:	OSN4C7H8 (1)
Stoich.:	ABC4D7E8 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	55.78
Dipole, Da:	6.55
IP(EA), eV:	-9.83(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(7-oxabicyclo[2.2.1]heptan-2-yl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=CN=NS2)O

DOS

IR

Vibrations