Geometry & MOs

Info

ID:	213688
PubChem CID:	81064669
Reduced:	OSN3C16H29 (1)
Stoich.:	ABC3D16E29 (1)
Weight, g/mol:	311.203134
ΔH_f, kcal/mol:	-51.37
Dipole, Da:	3.18
IP(EA), eV:	-8.26(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-methyl-2-N-(2-propan-2-yloxyethyl)-7-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C1=NC2=C(S1)C(CC(C2)(C)C)NC

DOS

IR

Vibrations