Geometry & MOs

Info

ID:	27693
PubChem CID:	823113
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-8.33
Dipole, Da:	2.16
IP(EA), eV:	-8.3(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/2\C(=NN)C3CCN2CC3)OC

DOS

IR

Vibrations