Geometry & MOs

Info

ID:	404260
PubChem CID:	135065625
Reduced:	ON2C19H20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	256.10342
ΔH_f, kcal/mol:	36.34
Dipole, Da:	3.25
IP(EA), eV:	-8.43(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylsulfanyl-1,5-bis(prop-2-enyl)pyrazole

Drug info:

PubChemData

Smile

CC(C)N1C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations