Geometry & MOs

Info

ID:	343154
PubChem CID:	127266327
Reduced:	OF3N5C14H14 (1)
Stoich.:	AB3C5D14E14 (1)
Weight, g/mol:	325.165108
ΔH_f, kcal/mol:	-111.95
Dipole, Da:	4.65
IP(EA), eV:	-9.25(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(C(F)(F)F)NC(=O)NC2=NNC(=C2)C3=CC=NC=C3

DOS

IR

Vibrations