Geometry & MOs

Info

ID:	146013
PubChem CID:	53624172
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-81.75
Dipole, Da:	1.37
IP(EA), eV:	-8.99(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CN1CCN(CC1)C(=O)C2=CC(=NO2)C)O

DOS

IR

Vibrations