Geometry & MOs

Info

ID:	85807
PubChem CID:	49879429
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	4.48
IP(EA), eV:	-8.2(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CNC(=O)C2=CN3C=CC=CC3=C2)OC

DOS

IR

Vibrations