Geometry & MOs

Info

ID:	256174
PubChem CID:	103137532
Reduced:	ON3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	45.96
Dipole, Da:	4.27
IP(EA), eV:	-8.22(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3,3-dimethylmorpholin-4-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CN(CC1=COC=C1)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations