Geometry & MOs

Info

ID:	422663
PubChem CID:	135118210
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-32.37
Dipole, Da:	0.98
IP(EA), eV:	-8.44(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoylamino]-2-(3-methylphenyl)acetic acid

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C3=NC(=NC(=C3)N)N4CCCC4

DOS

IR

Vibrations