Geometry & MOs

Info

ID:	337432
PubChem CID:	127257117
Reduced:	ON2C21H28 (1)
Stoich.:	AB2C21D28 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-12.59
Dipole, Da:	6.22
IP(EA), eV:	-8.41(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-(2-ethylbutylidene)-5-methyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

C1CCC(=CC1)C2=C(N(NC2=O)C3=CCCCC3)C4=CCCCC4

DOS

IR

Vibrations