Geometry & MOs

Info

ID:	268974
PubChem CID:	103603816
Reduced:	NOC6H13 (2)
Stoich.:	ABC6D13 (2)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-126.16
Dipole, Da:	3.63
IP(EA), eV:	-9.53(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-ylmethyl)-3-(2-methylpropoxy)propan-1-amine

Drug info:

PubChemData

Smile

CC(C)COCCCNCC(=O)NC(C)C

DOS

IR

Vibrations