Geometry & MOs

Info

ID:	216283
PubChem CID:	85085985
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	-132.7
Dipole, Da:	6.54
IP(EA), eV:	-8.74(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-pentyl-1,3-benzothiazol-2-ylidene)nitrous amide

Drug info:

PubChemData

Smile

CC(=O)C1(CC2CCC3=C2N(C1=O)CCCC3)O

DOS

IR

Vibrations