Geometry & MOs

Info

ID:	129095
PubChem CID:	51069829
Reduced:	ClO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	454.213554
ΔH_f, kcal/mol:	15.04
Dipole, Da:	2.74
IP(EA), eV:	-8.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)N(CC1=C(N(N=C1C2=CC=CC=C2)C)OC3=CC=CC=C3Cl)C4CC4

DOS

IR

Vibrations