Geometry & MOs

Info

ID:	438254
PubChem CID:	135227982
Reduced:	BrFO2N4H12C17 (1)
Stoich.:	ABC2D4E12F17 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	53.0
Dipole, Da:	7.99
IP(EA), eV:	-9.33(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=C(C=CC=N2)F)NC3=C(N=CC(=C3)Br)[N+](=O)[O-]

DOS

IR

Vibrations