Geometry & MOs

Info

ID:	201021
PubChem CID:	79475277
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	284.138091
ΔH_f, kcal/mol:	-69.12
Dipole, Da:	4.61
IP(EA), eV:	-8.82(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thian-4-amine

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N=C1C(CC)C(=O)OCC

DOS

IR

Vibrations