Geometry & MOs

Info

ID:	294449
PubChem CID:	117461833
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-52.83
Dipole, Da:	2.14
IP(EA), eV:	-9.34(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC(=CC=C1)N2C(=CC=N2)C3CC3)O

DOS

IR

Vibrations