Geometry & MOs

Info

ID:	56812
PubChem CID:	22390903
Reduced:	NOBr2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-42.26
Dipole, Da:	4.68
IP(EA), eV:	-9.31(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde

Drug info:

PubChemData

Smile

C1CN(CCC(=O)C1Br)CC2=CC=CC=C2.Br

DOS

IR

Vibrations