Geometry & MOs

Info

ID:	255868
PubChem CID:	103135284
Reduced:	N2O3C12H18 (1)
Stoich.:	A2B3C12D18 (1)
Weight, g/mol:	287.01571
ΔH_f, kcal/mol:	-122.5
Dipole, Da:	3.19
IP(EA), eV:	-9.5(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(5-methyloxolan-2-yl)methyl]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=NC=C2C(=O)OC)C

DOS

IR

Vibrations