Geometry & MOs

Info

ID:	331309
PubChem CID:	127248716
Reduced:	FO2N5C25H28 (1)
Stoich.:	AB2C5D25E28 (1)
Weight, g/mol:	434.223038
ΔH_f, kcal/mol:	-38.82
Dipole, Da:	5.15
IP(EA), eV:	-8.85(-0.44)
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-(4-fluorophenyl)butan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)CCOC3=CC=CC=C3F)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations