Geometry & MOs

Info

ID:	72129
PubChem CID:	48415841
Reduced:	F2O2N3C19H19 (1)
Stoich.:	A2B2C3D19E19 (1)
Weight, g/mol:	361.04259
ΔH_f, kcal/mol:	-124.03
Dipole, Da:	2.83
IP(EA), eV:	-9.06(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations