Geometry & MOs

Info

ID:	331325
PubChem CID:	127248732
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	446.24819
ΔH_f, kcal/mol:	55.64
Dipole, Da:	3.5
IP(EA), eV:	-8.55(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)CC3=CC4=C(O3)C(=CC=C4)OC)C5=CN=CN=C5

DOS

IR

Vibrations