Geometry & MOs

Info

ID:	160635
PubChem CID:	57389284
Reduced:	F3O3N4C28H31 (1)
Stoich.:	A3B3C4D28E31 (1)
Weight, g/mol:	458.186652
ΔH_f, kcal/mol:	-248.69
Dipole, Da:	3.71
IP(EA), eV:	-9.36(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenyl)pyrimidin-4-yl]-1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-2-methylphenyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=CC=C(C=C2)C(F)(F)F)C)C(CC(C)C)NC3=NC=C(C=N3)C(=O)NCCC(=O)O

DOS

IR

Vibrations