Geometry & MOs

Info

ID:	285425
PubChem CID:	104104338
Reduced:	N2O3C12H18 (1)
Stoich.:	A2B3C12D18 (1)
Weight, g/mol:	221.116427
ΔH_f, kcal/mol:	-64.76
Dipole, Da:	4.9
IP(EA), eV:	-9.4(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)N2CCCCO2

DOS

IR

Vibrations