Geometry & MOs

Info

ID:	413190
PubChem CID:	135086136
Reduced:	NC17H17 (1)
Stoich.:	AB17C17 (1)
Weight, g/mol:	336.111007
ΔH_f, kcal/mol:	91.61
Dipole, Da:	1.42
IP(EA), eV:	-8.56(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(2-phenylethynyl)-2H-benzimidazole-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C#CCCN(CC1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations