Geometry & MOs

Info

ID:	331323
PubChem CID:	127248730
Reduced:	ON3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-8.53
Dipole, Da:	4.82
IP(EA), eV:	-8.7(-0.19)
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]-4-(2-methylphenoxy)butan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)CC(=O)N3CCC3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations