Geometry & MOs

Info

ID:	123559
PubChem CID:	50854153
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	302.153147
ΔH_f, kcal/mol:	22.84
Dipole, Da:	6.04
IP(EA), eV:	-8.38(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(1H-benzimidazol-2-yl)-3-(1-cyclopentylpyrrol-3-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCN1C(=O)/C(=C\C2=CN(C=C2)C3CCCC3)/SC1=NC4=CC=CC=C4

DOS

IR

Vibrations