Geometry & MOs

Info

ID:	71863
PubChem CID:	48415550
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	418.06405
ΔH_f, kcal/mol:	-85.27
Dipole, Da:	3.61
IP(EA), eV:	-9.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations