Geometry & MOs

Info

ID:	374585
PubChem CID:	131331809
Reduced:	BrNCl2O3H4C8 (1)
Stoich.:	ABC2D3E4F8 (1)
Weight, g/mol:	206.069142
ΔH_f, kcal/mol:	-26.48
Dipole, Da:	4.43
IP(EA), eV:	-10.6(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-(1,3-oxazol-5-yl)pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1[N+](=O)[O-])Br)C(=O)CCl)Cl

DOS

IR

Vibrations