Geometry & MOs

Info

ID:	332763
PubChem CID:	127251073
Reduced:	ON3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	442.19288
ΔH_f, kcal/mol:	3.43
Dipole, Da:	3.52
IP(EA), eV:	-8.69(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)CCCC2)C(=O)N3CCC(C3)C4=NC(=NC=C4C5=CN(N=C5)C)N(C)C

DOS

IR

Vibrations