Geometry & MOs

Info

ID:	28024
PubChem CID:	824947
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-83.74
Dipole, Da:	4.05
IP(EA), eV:	-8.73(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1(C[C@@H](CCO1)NCC2=CC=C(C=C2)OC)C

DOS

IR

Vibrations