Geometry & MOs

Info

ID:	319641
PubChem CID:	126656904
Reduced:	NPO2C26H30 (1)
Stoich.:	ABC2D26E30 (1)
Weight, g/mol:	244.101191
ΔH_f, kcal/mol:	-77.66
Dipole, Da:	5.32
IP(EA), eV:	-9.49(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)C(=O)NC(C)(C)C)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations