Geometry & MOs

Info

ID:	204437
PubChem CID:	79965664
Reduced:	INS2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	310.153741
ΔH_f, kcal/mol:	32.27
Dipole, Da:	4.3
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,4-dithian-2-yl)-2-(5-ethylpyridin-2-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CNC(CC1=CC=C(C=C1)I)C2CSCCS2

DOS

IR

Vibrations