Geometry & MOs

Info

ID:	25327
PubChem CID:	623058
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	350.92925
ΔH_f, kcal/mol:	-134.88
Dipole, Da:	4.22
IP(EA), eV:	-8.47(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(1,2-dibromoethenyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1CNC2CC3=CC(=C(C=C3CC4=C2C1=CC(=C4O)O)O)O

DOS

IR

Vibrations