Geometry & MOs

Info

ID:	298882
PubChem CID:	117662934
Reduced:	N4H34C51 (1)
Stoich.:	A4B34C51 (1)
Weight, g/mol:	266.90813
ΔH_f, kcal/mol:	244.32
Dipole, Da:	1.69
IP(EA), eV:	-8.62(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dibromo-1,2,5-trimethylpyrrole

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=CC(=CC=C2)C3=CC(=CC(=C3)C4=NC(=NC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC8=C(C=C7)C9=CC=CC=C9C1=CC=CC=C18

DOS

IR

Vibrations