Geometry & MOs

Info

ID:	72269
PubChem CID:	48415989
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-57.92
Dipole, Da:	4.79
IP(EA), eV:	-8.84(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,3,6,6-tetramethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)COCCOC3=CC=CC=C3

DOS

IR

Vibrations