Geometry & MOs

Info

ID:	287636
PubChem CID:	104249632
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-72.7
Dipole, Da:	3.71
IP(EA), eV:	-9.89(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-3-(oxan-2-yl)propan-2-one

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C(=O)CC2CCCCO2

DOS

IR

Vibrations