Geometry & MOs

Info

ID:	196754
PubChem CID:	78874448
Reduced:	OS2N4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	262.122989
ΔH_f, kcal/mol:	69.78
Dipole, Da:	3.3
IP(EA), eV:	-9.27(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-fluorophenyl)methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CSC2=NN=C(O2)C3=CC=NC=C3

DOS

IR

Vibrations