Geometry & MOs

Info

ID:	264385
PubChem CID:	103458593
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	192.126263
ΔH_f, kcal/mol:	-135.6
Dipole, Da:	4.39
IP(EA), eV:	-9.44(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(1-methylpyrazol-4-yl)pent-2-en-1-one

Drug info:

PubChemData

Smile

CCC(CC)C(C(=O)CC1=NC=C(C(=C1C)OC)C)O

DOS

IR

Vibrations