Geometry & MOs

Info

ID:	129087
PubChem CID:	51069734
Reduced:	ClN3O4H26C30 (1)
Stoich.:	AB3C4D26E30 (1)
Weight, g/mol:	531.192484
ΔH_f, kcal/mol:	-7.96
Dipole, Da:	1.69
IP(EA), eV:	-8.47(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C2=CC=CC=C2)CN(CC3=CC=CO3)C(=O)C4=CC=CC=C4Cl)OC5=CC=C(C=C5)OC

DOS

IR

Vibrations