Geometry & MOs

Info

ID:	242556
PubChem CID:	97302044
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-74.88
Dipole, Da:	1.57
IP(EA), eV:	-8.82(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-3-phenylpyrazole

Drug info:

PubChemData

Smile

CCN1CC=C([C@H](C1)C(=O)OC(C)C)C2=CC=CC=C2

DOS

IR

Vibrations