Geometry & MOs

Info

ID:	171929
PubChem CID:	75442186
Reduced:	FON5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	304.098998
ΔH_f, kcal/mol:	8.79
Dipole, Da:	2.93
IP(EA), eV:	-8.74(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-5-fluorophenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea

Drug info:

PubChemData

Smile

C1=CC2=NN(C(=O)N2C=C1)CCCNC3=C(C=CC=N3)F

DOS

IR

Vibrations