Geometry & MOs

Info

ID:	129068
PubChem CID:	51068761
Reduced:	ON4F5H23C27 (1)
Stoich.:	AB4C5D23E27 (1)
Weight, g/mol:	519.192484
ΔH_f, kcal/mol:	-167.85
Dipole, Da:	3.67
IP(EA), eV:	-9.54(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-3-methoxy-N-propylbenzamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C(=NN1C2=CC=CC=C2)C(F)(F)F)CN(CC3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations