Geometry & MOs

Info

ID:	436956
PubChem CID:	135213275
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	242.18167
ΔH_f, kcal/mol:	-49.46
Dipole, Da:	3.17
IP(EA), eV:	-9.91(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-aminoethyl(2,3-dimethylhex-3-enyl)amino]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=C)/C(=C\C=C)/C1=O

DOS

IR

Vibrations