Geometry & MOs

Info

ID:	325706
PubChem CID:	126684580
Reduced:	N5C26H39 (1)
Stoich.:	A5B26C39 (1)
Weight, g/mol:	254.091141
ΔH_f, kcal/mol:	14.23
Dipole, Da:	0.81
IP(EA), eV:	-8.69(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[1-(disulfanyl)ethyl]pyrrolidin-3-yl]methyl]pyridine

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)CC2CCN(C2)C(C)CC3=CC(=NC(=N3)C)C4CCN(C4)C(C)C

DOS

IR

Vibrations