Geometry & MOs

Info

ID:	27694
PubChem CID:	823116
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-40.67
Dipole, Da:	3.41
IP(EA), eV:	-8.72(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazole

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CCOC2=CC=CC(=C2)OC

DOS

IR

Vibrations