Geometry & MOs

Info

ID:	72016
PubChem CID:	48415719
Reduced:	OSN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	27.68
Dipole, Da:	6.28
IP(EA), eV:	-9.05(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,3,3-trimethylbutanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=CS3

DOS

IR

Vibrations