Geometry & MOs

Info

ID:	343939
PubChem CID:	127267115
Reduced:	O2F3N3C13H16 (1)
Stoich.:	A2B3C3D13E16 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-212.42
Dipole, Da:	3.89
IP(EA), eV:	-9.11(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylphenyl)-3-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]urea

Drug info:

PubChemData

Smile

C1CC(N(C1)NC(=O)NC2=CC=CC=C2C(F)(F)F)CO

DOS

IR

Vibrations