Geometry & MOs

Info

ID:	234271
PubChem CID:	92298070
Reduced:	BrNOH8C12 (2)
Stoich.:	ABCD8E12 (2)
Weight, g/mol:	289.085127
ΔH_f, kcal/mol:	73.63
Dipole, Da:	9.15
IP(EA), eV:	-8.57(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1H-benzimidazol-2-yl)-2-(1,3-benzodioxol-5-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1[C@@H](ONC1=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)C5=CC=C(C=C5)Br

DOS

IR

Vibrations