Geometry & MOs

Info

ID:	264306
PubChem CID:	103453411
Reduced:	ClON2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	192.126263
ΔH_f, kcal/mol:	-9.16
Dipole, Da:	2.58
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one

Drug info:

PubChemData

Smile

C/C=C/C(=O)C1=C(N=CC(=C1)Cl)N

DOS

IR

Vibrations