Geometry & MOs

Info

ID:	66042
PubChem CID:	46488305
Reduced:	BrN3O3H16C20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	305.091275
ΔH_f, kcal/mol:	-34.69
Dipole, Da:	8.2
IP(EA), eV:	-8.49(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations