Geometry & MOs

Info

ID:	137033
PubChem CID:	52142012
Reduced:	ON4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	283.03202
ΔH_f, kcal/mol:	-1.27
Dipole, Da:	7.0
IP(EA), eV:	-9.59(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromopyrazol-1-yl)methyl]-5-tert-butyl-1,3-oxazole

Drug info:

PubChemData

Smile

CCCC1=NC(=O)C=C(N1)CN2C(=CC(=N2)C)C

DOS

IR

Vibrations