Geometry & MOs

Info

ID:	331306
PubChem CID:	127248713
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-13.14
Dipole, Da:	6.51
IP(EA), eV:	-9.1(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)C3=CC=C(C=C3)OCCOC)C4=CN=CN=C4

DOS

IR

Vibrations