Geometry & MOs

Info

ID:	373335
PubChem CID:	131313428
Reduced:	BrON2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	18.92
Dipole, Da:	1.52
IP(EA), eV:	-9.6(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylpropyl)-4,6-dihydrothieno[3,4-c]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C)C(=O)C2=CC=NN2

DOS

IR

Vibrations