Geometry & MOs

Info

ID:	26293
PubChem CID:	643853
Reduced:	Br2O3N4H10C11 (1)
Stoich.:	A2B3C4D10E11 (1)
Weight, g/mol:	308.02727
ΔH_f, kcal/mol:	-87.78
Dipole, Da:	3.66
IP(EA), eV:	-9.4(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(Z)-3-(3-methylimidazol-4-yl)prop-2-enyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=C(NC(=C1Br)Br)C(=O)NCC/C=C/2\C(=O)NC(=O)N2

DOS

IR

Vibrations