Geometry & MOs

Info

ID:	155933
PubChem CID:	56368358
Reduced:	ClBr2O2N3H6C11 (1)
Stoich.:	AB2C2D3E6F11 (1)
Weight, g/mol:	373.07897
ΔH_f, kcal/mol:	-21.77
Dipole, Da:	2.73
IP(EA), eV:	-9.12(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1C(=O)NC2=CC(=CNC2=O)Br)Cl)Br

DOS

IR

Vibrations