Geometry & MOs

Info

ID:	39954
PubChem CID:	8143262
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	295.114319
ΔH_f, kcal/mol:	-104.16
Dipole, Da:	2.22
IP(EA), eV:	-8.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-propylbenzimidazol-2-yl)benzenecarbothioamide

Drug info:

PubChemData

Smile

CCCCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations