Geometry & MOs

Info

ID:	440183
PubChem CID:	135230093
Reduced:	ClN4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	256.070405
ΔH_f, kcal/mol:	41.5
Dipole, Da:	6.57
IP(EA), eV:	-8.93(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylaminomethyl)-3-(pyridin-2-yldisulfanyl)propanal

Drug info:

PubChemData

Smile

CCC(C)[C@H]1CNCC2=CC3=CN=C(N=C3N12)Cl

DOS

IR

Vibrations