Geometry & MOs

Info

ID:	250495
PubChem CID:	103097100
Reduced:	Cl2N2O4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	210.11907
ΔH_f, kcal/mol:	-87.8
Dipole, Da:	2.2
IP(EA), eV:	-10.04(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine

Drug info:

PubChemData

Smile

COC1CCC(C1)NC(=O)C2=CC(=C(C(=C2)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations