Geometry & MOs

Info

ID:	256452
PubChem CID:	103139295
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-99.83
Dipole, Da:	3.48
IP(EA), eV:	-8.98(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCC(CC2)C=O

DOS

IR

Vibrations