Geometry & MOs

Info

ID:	295060
PubChem CID:	117513683
Reduced:	BrN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	336.99497
ΔH_f, kcal/mol:	-37.95
Dipole, Da:	5.46
IP(EA), eV:	-9.07(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-bromo-4-(oxolan-3-yl)phenyl]-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=C(C=C2)Br)C3=NNC(=C3)C(=O)O

DOS

IR

Vibrations