Geometry & MOs

Info

ID:	129096
PubChem CID:	51069830
Reduced:	ClO2N4C25H31 (1)
Stoich.:	AB2C4D25E31 (1)
Weight, g/mol:	426.182254
ΔH_f, kcal/mol:	-26.47
Dipole, Da:	5.77
IP(EA), eV:	-8.73(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC1=C(N(N=C1C2=CC=CC=C2)C)OC3=CC=CC=C3Cl)C(=O)NC(C)(C)C

DOS

IR

Vibrations