Geometry & MOs

Info

ID:	52226
PubChem CID:	12015031
Reduced:	BrO2N3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	430.08268
ΔH_f, kcal/mol:	22.03
Dipole, Da:	9.19
IP(EA), eV:	-8.35(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromothiophen-2-yl)-4-(2-piperidin-1-ylethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole

Drug info:

PubChemData

Smile

C1COCCC12C3=CC=CC=C3CN4C2=N/C(=C/5\C=C(C=CC5=O)Br)/N4

DOS

IR

Vibrations