Geometry & MOs

Info

ID:	72165
PubChem CID:	48415881
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	350.120132
ΔH_f, kcal/mol:	-29.41
Dipole, Da:	5.57
IP(EA), eV:	-8.76(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCCOC3=CC=CC=C3

DOS

IR

Vibrations