Geometry & MOs

Info

ID:	331293
PubChem CID:	127248700
Reduced:	FO2N6C22H23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	436.177837
ΔH_f, kcal/mol:	-38.25
Dipole, Da:	2.52
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)CN3C=CC=NC3=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations