Geometry & MOs

Info

ID:	129077
PubChem CID:	51069214
Reduced:	ClFO2N3H23C27 (1)
Stoich.:	ABC2D3E23F27 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	9.03
Dipole, Da:	3.86
IP(EA), eV:	-9.1(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-1-(2-methylpropyl)urea

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C2=CC=CC=C2)CN(C3CC3)C(=O)C4=CC=CC=C4Cl)OC5=CC=C(C=C5)F

DOS

IR

Vibrations