Geometry & MOs

Info

ID:	72249
PubChem CID:	48415969
Reduced:	ON6H22C24 (1)
Stoich.:	AB6C22D24 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	99.22
Dipole, Da:	5.47
IP(EA), eV:	-8.62(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C4N=CC=C(N4N=C3)C5=CC=CC=C5

DOS

IR

Vibrations