Geometry & MOs

Info

ID:	406077
PubChem CID:	135076455
Reduced:	O5C9H14 (1)
Stoich.:	A5B9C14 (1)
Weight, g/mol:	276.126263
ΔH_f, kcal/mol:	-205.62
Dipole, Da:	5.31
IP(EA), eV:	-9.79(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-benzylidene-5-ethyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H](C(O[C@H]2O1)C=O)OC)C

DOS

IR

Vibrations