Geometry & MOs

Info

ID:	187164
PubChem CID:	77537701
Reduced:	FO3N5C36H46 (1)
Stoich.:	AB3C5D36E46 (1)
Weight, g/mol:	422.163043
ΔH_f, kcal/mol:	-145.81
Dipole, Da:	2.49
IP(EA), eV:	-8.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methyl-4-(1-phenylethoxy)phenyl]-2-(3-pyrimidin-5-ylphenyl)ethane-1,2-dione

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1C3CC4CCC(C3)N4CCC5(CCN(CC5)C(=O)C6(CCCCC6)NC(=O)O)C7=CC(=CC=C7)F

DOS

IR

Vibrations