Geometry & MOs

Info

ID:	332764
PubChem CID:	127251074
Reduced:	FON3C11H12 (2)
Stoich.:	ABC3D11E12 (2)
Weight, g/mol:	434.243024
ΔH_f, kcal/mol:	-63.25
Dipole, Da:	0.82
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2,6-dimethylphenoxy)ethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(N=C2C3CCN(C3)C(=O)COC4=C(C=C(C=C4)F)F)N(C)C

DOS

IR

Vibrations