Geometry & MOs

Info

ID:	71892
PubChem CID:	48415582
Reduced:	BrFON3H17C18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-21.26
Dipole, Da:	6.59
IP(EA), eV:	-9.11(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C(C=C(C=C3)F)Br

DOS

IR

Vibrations