Geometry & MOs

Info

ID:	29246
PubChem CID:	832553
Reduced:	FN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	264.126263
ΔH_f, kcal/mol:	-76.75
Dipole, Da:	1.75
IP(EA), eV:	-8.22(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)F)C

DOS

IR

Vibrations