Geometry & MOs

Info

ID:	202254
PubChem CID:	79646489
Reduced:	N2S2O3C14H20 (1)
Stoich.:	A2B2C3D14E20 (1)
Weight, g/mol:	210.173213
ΔH_f, kcal/mol:	-112.11
Dipole, Da:	6.7
IP(EA), eV:	-9.19(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-(furan-2-yl)ethyl]-N',2,2-trimethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CNC1(CCC(C1)SC2=CC=C(C=C2)S(=O)(=O)C)C(=O)N

DOS

IR

Vibrations