Geometry & MOs

Info

ID:	71886
PubChem CID:	48415576
Reduced:	BrO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	-14.79
Dipole, Da:	6.88
IP(EA), eV:	-9.03(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-cyclopent-2-en-1-yl-N-methylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations