Geometry & MOs

Info

ID:	332417
PubChem CID:	127250703
Reduced:	ON5C23H23 (1)
Stoich.:	AB5C23D23 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	91.31
Dipole, Da:	2.77
IP(EA), eV:	-8.82(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-[6-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CC=C2)C3CN(CCO3)CC4=C5C=CC=NC5=CC=C4

DOS

IR

Vibrations