Geometry & MOs

Info

ID:	129316
PubChem CID:	51072244
Reduced:	BrN4C6H11 (1)
Stoich.:	AB4C6D11 (1)
Weight, g/mol:	153.042593
ΔH_f, kcal/mol:	38.05
Dipole, Da:	4.56
IP(EA), eV:	-9.33(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C(=NC(=N1)Br)N(C)C

DOS

IR

Vibrations