Geometry & MOs

Info

ID:	234242
PubChem CID:	92297992
Reduced:	ClN2O3H23C30 (1)
Stoich.:	AB2C3D23E30 (1)
Weight, g/mol:	419.059217
ΔH_f, kcal/mol:	13.81
Dipole, Da:	2.37
IP(EA), eV:	-8.7(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(1H-benzimidazol-2-yl)-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C/C2=NC3=CC=CC=C3N2CCOC4=CC=C(C=C4)Cl)/OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations