Geometry & MOs

Info

ID:	71997
PubChem CID:	48415699
Reduced:	ON3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	392.167083
ΔH_f, kcal/mol:	-38.23
Dipole, Da:	5.01
IP(EA), eV:	-9.1(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(1,3-benzothiazol-2-yl)-N-methylbutanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCC3CCCCC3

DOS

IR

Vibrations