Geometry & MOs

Info

ID:	129094
PubChem CID:	51069828
Reduced:	FN3O3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	438.182254
ΔH_f, kcal/mol:	-40.38
Dipole, Da:	5.05
IP(EA), eV:	-9.3(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-1-cyclopropyl-3-propylurea

Drug info:

PubChemData

Smile

CCCN(CC1=C(N(N=C1C2=CC=CC=C2)C)OC3=CC(=CC=C3)F)C(=O)C4=CC=CO4

DOS

IR

Vibrations