Geometry & MOs

Info

ID:	157796
PubChem CID:	56437288
Reduced:	F3N3O3C21H26 (1)
Stoich.:	A3B3C3D21E26 (1)
Weight, g/mol:	440.23246
ΔH_f, kcal/mol:	-226.22
Dipole, Da:	9.11
IP(EA), eV:	-8.74(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(2-methylmorpholin-4-yl)pyridin-3-yl]-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CNC2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations