Geometry & MOs

Info

ID:	438162
PubChem CID:	135227790
Reduced:	BrN3O3C27H28 (1)
Stoich.:	AB3C3D27E28 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	-35.75
Dipole, Da:	5.72
IP(EA), eV:	-8.51(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-1-methyl-5-[3-[oxan-4-yl(phenyl)methyl]benzimidazol-5-yl]pyridin-2-one

Drug info:

PubChemData

Smile

CCOC1=CC(=CN(C1=O)C)C2=CC3=C(C(=C2)Br)N=CN3C(C4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations