Geometry & MOs

Info

ID:	332412
PubChem CID:	127250698
Reduced:	ON6C25H28 (1)
Stoich.:	AB6C25D28 (1)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	88.77
Dipole, Da:	2.49
IP(EA), eV:	-8.83(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-3-methylpyrazol-4-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=CC5=CC=CC=C5N=C4N(C)C

DOS

IR

Vibrations