Geometry & MOs

Info

ID:	209541
PubChem CID:	80686464
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	242.127994
ΔH_f, kcal/mol:	-52.9
Dipole, Da:	0.64
IP(EA), eV:	-9.63(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-5-amine

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)NCCCCC#N)C1=CC=CC=C1

DOS

IR

Vibrations