Geometry & MOs

Info

ID:	71983
PubChem CID:	48415684
Reduced:	N4O4C19H20 (1)
Stoich.:	A4B4C19D20 (1)
Weight, g/mol:	407.16452
ΔH_f, kcal/mol:	-21.23
Dipole, Da:	6.22
IP(EA), eV:	-9.11(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations