Geometry & MOs

Info

ID:	303891
PubChem CID:	124490710
Reduced:	NOF3C6H12 (1)
Stoich.:	ABC3D6E12 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	-225.14
Dipole, Da:	2.85
IP(EA), eV:	-9.69(1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrazol-4-amine

Drug info:

PubChemData

Smile

C(CN)[C@@H](CCO)C(F)(F)F

DOS

IR

Vibrations