Geometry & MOs

Info

ID:	138725
PubChem CID:	52416383
Reduced:	NC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	277.161269
ΔH_f, kcal/mol:	39.01
Dipole, Da:	2.23
IP(EA), eV:	-8.64(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N',N'-diethylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CC1N2CCN[C@H](C2)CC3=CC=CC=C3

DOS

IR

Vibrations