Geometry & MOs

Info

ID:	416567
PubChem CID:	135089692
Reduced:	FN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	318.18559
ΔH_f, kcal/mol:	-126.83
Dipole, Da:	4.79
IP(EA), eV:	-9.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-2-methylphenyl)-2-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC(=C(C=C3)O)F

DOS

IR

Vibrations