Geometry & MOs

Info

ID:	338487
PubChem CID:	127259179
Reduced:	ClNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	184.084792
ΔH_f, kcal/mol:	-95.53
Dipole, Da:	1.37
IP(EA), eV:	-8.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCCOC1=C2C(=C(C=C1)Cl)C=CC=N2

DOS

IR

Vibrations