Geometry & MOs

Info

ID:	343152
PubChem CID:	127266325
Reduced:	F2N3O3C14H17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	325.165108
ΔH_f, kcal/mol:	-187.97
Dipole, Da:	4.08
IP(EA), eV:	-8.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-5-propylpyrazol-3-yl)-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)N2CCCN(CC2)C=O)F)F

DOS

IR

Vibrations