Geometry & MOs

Info

ID:	293576
PubChem CID:	117393597
Reduced:	F2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	256.096026
ΔH_f, kcal/mol:	-209.79
Dipole, Da:	7.65
IP(EA), eV:	-9.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=C2CCOC2=C(C=C1F)F)C(=O)O

DOS

IR

Vibrations