Geometry & MOs

Info

ID:	307909
PubChem CID:	125310713
Reduced:	O3N4C15H16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	300.12224
ΔH_f, kcal/mol:	-19.5
Dipole, Da:	10.38
IP(EA), eV:	-9.17(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(S)-[(3R)-5-hydroxy-3-methyl-3H-pyrazol-4-yl]-(3-hydroxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=C(N=N1)O)[C@@H](C2=CC(=CC=C2)O)C3=C(NNC3=O)C

DOS

IR

Vibrations