Geometry & MOs

Info

ID:	208781
PubChem CID:	80585144
Reduced:	SN2C14H28 (1)
Stoich.:	AB2C14D28 (1)
Weight, g/mol:	248.109568
ΔH_f, kcal/mol:	-40.64
Dipole, Da:	2.57
IP(EA), eV:	-8.51(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(thiolan-2-ylmethyl)-3H-benzimidazole-2,5-diamine

Drug info:

PubChemData

Smile

CC(CC1CCCCCN1)NCC2CCCS2

DOS

IR

Vibrations