Geometry & MOs

Info

ID:	332771
PubChem CID:	127251081
Reduced:	FON6C24H29 (1)
Stoich.:	ABC6D24E29 (1)
Weight, g/mol:	438.217952
ΔH_f, kcal/mol:	-2.48
Dipole, Da:	3.73
IP(EA), eV:	-8.64(-0.26)
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]-3-(3-fluorophenoxy)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(N=C2C3CCN(C3)C(=O)CCCC4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations