Geometry & MOs

Info

ID:	438161
PubChem CID:	135227789
Reduced:	BrION2H18C19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	521.1314
ΔH_f, kcal/mol:	42.8
Dipole, Da:	5.22
IP(EA), eV:	-9.21(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[7-bromo-3-[oxan-4-yl(phenyl)methyl]benzimidazol-5-yl]-3-ethoxy-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

C1COCCC1C(C2=CC=CC=C2)N3C=NC4=C3C=C(C=C4Br)I

DOS

IR

Vibrations