Geometry & MOs

Info

ID:	264324
PubChem CID:	103454071
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	178.110613
ΔH_f, kcal/mol:	-98.69
Dipole, Da:	2.32
IP(EA), eV:	-9.77(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C(=O)C1CCC1)O

DOS

IR

Vibrations