Geometry & MOs

Info

ID:	212892
PubChem CID:	81062158
Reduced:	N2S2O4C9H16 (1)
Stoich.:	A2B2C4D9E16 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-163.76
Dipole, Da:	4.91
IP(EA), eV:	-9.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=C(NC(=O)S1)C

DOS

IR

Vibrations