Geometry & MOs

Info

ID:	71933
PubChem CID:	48415633
Reduced:	ON4H20C21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	45.48
Dipole, Da:	9.39
IP(EA), eV:	-8.51(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations