Geometry & MOs

Info

ID:	129041
PubChem CID:	51067922
Reduced:	FN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-72.56
Dipole, Da:	4.81
IP(EA), eV:	-8.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N,3,3-trimethylbutanamide

Drug info:

PubChemData

Smile

CN(CC(=O)N1C(CC(=N1)C2=CC=CC=C2F)C3=CC=CC=C3OC)C(=O)C4CC4

DOS

IR

Vibrations