Geometry & MOs

Info

ID:	129071
PubChem CID:	51068793
Reduced:	ClN3O4C25H28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	535.142947
ΔH_f, kcal/mol:	-85.75
Dipole, Da:	8.61
IP(EA), eV:	-8.58(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[[1-(4-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN(CC2CCCO2)C(=O)C)OC3=CC=CC=C3OC)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations