Geometry & MOs

Info

ID:	331433
PubChem CID:	127248840
Reduced:	FO3N6C22H23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	438.181567
ΔH_f, kcal/mol:	-70.2
Dipole, Da:	3.3
IP(EA), eV:	-8.91(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)CN3C=CC=NC3=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations