Geometry & MOs

Info

ID:	393161
PubChem CID:	135019603
Reduced:	O3C14H16 (2)
Stoich.:	A3B14C16 (2)
Weight, g/mol:	352.02113
ΔH_f, kcal/mol:	-180.91
Dipole, Da:	2.72
IP(EA), eV:	-9.42(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromo-2-prop-2-ynoxyphenyl)-3-phenyl-1H-pyrazole

Drug info:

PubChemData

Smile

CO[C@@H]1C(C([C@@H](C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations