Geometry & MOs

Info

ID:	126891
PubChem CID:	50983183
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	237.129969
ΔH_f, kcal/mol:	-7.07
Dipole, Da:	5.36
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-pyridin-3-yl-N-(thiolan-3-yl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=C(C=N2)CNC(=O)C3CC(=O)N(C3)C4CC4

DOS

IR

Vibrations