Geometry & MOs

Info

ID:	71891
PubChem CID:	48415581
Reduced:	F2O2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	389.0539
ΔH_f, kcal/mol:	-137.6
Dipole, Da:	5.62
IP(EA), eV:	-8.69(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-bromo-4-fluoro-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CC3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations