Geometry & MOs

Info

ID:	72285
PubChem CID:	48416005
Reduced:	ClON5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	55.41
Dipole, Da:	1.72
IP(EA), eV:	-8.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-5-ethyl-N-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=NN3)C4=CC=CC=C4Cl

DOS

IR

Vibrations