Geometry & MOs

Info

ID:	285267
PubChem CID:	104098910
Reduced:	Cl2N4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	222.093918
ΔH_f, kcal/mol:	68.85
Dipole, Da:	4.98
IP(EA), eV:	-9.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methylthiophen-2-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)CNCCN2C=CN=N2

DOS

IR

Vibrations