Geometry & MOs

Info

ID:	264325
PubChem CID:	103454079
Reduced:	ON2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	240.102941
ΔH_f, kcal/mol:	2.79
Dipole, Da:	5.79
IP(EA), eV:	-9.21(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)hex-3-en-2-one

Drug info:

PubChemData

Smile

CC/C=C/C(=O)CC1=CN(N=C1)C

DOS

IR

Vibrations