Geometry & MOs

Info

ID:	24997
PubChem CID:	616466
Reduced:	ION3H8C14 (1)
Stoich.:	ABC3D8E14 (1)
Weight, g/mol:	360.97121
ΔH_f, kcal/mol:	114.38
Dipole, Da:	4.98
IP(EA), eV:	-9.21(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-yl)-3-(5-iodofuran-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=C(O3)I)C#N

DOS

IR

Vibrations