Geometry & MOs

Info

ID:	185347
PubChem CID:	77288310
Reduced:	BrION5C26H39 (1)
Stoich.:	ABCD5E26F39 (1)
Weight, g/mol:	327.02324
ΔH_f, kcal/mol:	-11.63
Dipole, Da:	7.33
IP(EA), eV:	-8.17(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-iodo-2-(4-methylpyrrolidin-2-yl)-1H-benzimidazole

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CN2CCCC(C2)NC3C4CCC(CC4C5C(N3)C(CNC5=O)I)Br

DOS

IR

Vibrations