Geometry & MOs

Info

ID:	1694
PubChem CID:	4885
Reduced:	SN3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	211.114319
ΔH_f, kcal/mol:	7.74
Dipole, Da:	0.94
IP(EA), eV:	-8.59(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

Drug info:

PubChemData

Smile

CCCNC1CCC2=C(C1)SC(=N2)N

DOS

IR

Vibrations