Geometry & MOs

Info

ID:	290885
PubChem CID:	111435524
Reduced:	ClFN2O3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-174.38
Dipole, Da:	3.45
IP(EA), eV:	-9.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2-methylpentyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)C(=O)NC2=C(C=CC(=C2)Cl)F)O

DOS

IR

Vibrations