Geometry & MOs

Info

ID:	201241
PubChem CID:	79511050
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-54.07
Dipole, Da:	3.03
IP(EA), eV:	-9.08(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-4-methylpentan-1-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(C)C(=O)C2CCC(CC2)CN

DOS

IR

Vibrations