Geometry & MOs

Info

ID:	344366
PubChem CID:	127267542
Reduced:	ClN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	254.057053
ΔH_f, kcal/mol:	-36.87
Dipole, Da:	1.82
IP(EA), eV:	-9.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)C(=O)C2=CC(=NO2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations