Geometry & MOs

Info

ID:	13828
PubChem CID:	399064
Reduced:	ClN2O3H15C22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	390.07712
ΔH_f, kcal/mol:	11.56
Dipole, Da:	2.23
IP(EA), eV:	-9.26(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-3-(furan-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Cl)C(=O)C=CC4=CC=CO4

DOS

IR

Vibrations