Geometry & MOs

Info

ID:	319736
PubChem CID:	126657140
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-30.03
Dipole, Da:	3.25
IP(EA), eV:	-8.65(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[(1R)-5-(N,4-dimethylanilino)-1,3-dihydro-2-benzofuran-1-yl]methylamino]pyridin-4-yl]methanediol

Drug info:

PubChemData

Smile

C1COC2=C([C@H]1CNC3=C(C=CN=C3)C(O)O)C=CC(=C2)C4=NN(C=C4)CC5CC5

DOS

IR

Vibrations