Geometry & MOs

Info

ID:	206857
PubChem CID:	80311617
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	281.192569
ΔH_f, kcal/mol:	8.72
Dipole, Da:	1.97
IP(EA), eV:	-8.86(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N'-cyclopentylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)OCC2=NC=CS2)N

DOS

IR

Vibrations