Geometry & MOs

Info

ID:	439298
PubChem CID:	135229066
Reduced:	SO2F3N3C22H22 (1)
Stoich.:	AB2C3D3E22F22 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-133.88
Dipole, Da:	5.92
IP(EA), eV:	-9.02(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(isoquinolin-1-ylmethoxy)-6-methylpyrimidin-4-yl]amino]hexan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=C1OCC2=CC=CC=C2)C)NN(O)SC3=CC=C(C=C3)C(F)(F)F)C

DOS

IR

Vibrations