Geometry & MOs

Info

ID:	332765
PubChem CID:	127251075
Reduced:	ON3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	424.202302
ΔH_f, kcal/mol:	9.88
Dipole, Da:	2.59
IP(EA), eV:	-8.74(-0.18)
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-(4-fluorophenoxy)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)N2CCC(C2)C3=NC(=NC=C3C4=CN(N=C4)C)N(C)C

DOS

IR

Vibrations