Geometry & MOs

Info

ID:	202578
PubChem CID:	79690644
Reduced:	ISN3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	406.99532
ΔH_f, kcal/mol:	115.1
Dipole, Da:	8.25
IP(EA), eV:	-8.95(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-iodothiophen-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=C(C=C(C=C2)C#N)N=C1C3=CSC(=C3)I

DOS

IR

Vibrations