Geometry & MOs

Info

ID:	434583
PubChem CID:	135175258
Reduced:	BrSF2N3O6C34H40 (1)
Stoich.:	ABC2D3E6F34G40 (1)
Weight, g/mol:	290.185509
ΔH_f, kcal/mol:	-329.52
Dipole, Da:	10.52
IP(EA), eV:	-9.25(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(2-piperazin-1-ylethoxymethyl)imidazo[4,5-c]pyridin-6-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)C(=O)C(C(C2=CC=C(C=C2)Br)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)OC5CCCC5

DOS

IR

Vibrations