Geometry & MOs

Info

ID:	162754
PubChem CID:	57566660
Reduced:	BrFN2O2H4C6 (1)
Stoich.:	ABC2D2E4F6 (1)
Weight, g/mol:	436.185903
ΔH_f, kcal/mol:	-32.05
Dipole, Da:	4.36
IP(EA), eV:	-9.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-(1-methyl-2-oxopyridin-4-yl)-1H-benzimidazol-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1N)[N+](=O)[O-])Br)F

DOS

IR

Vibrations