Geometry & MOs

Info

ID:	208648
PubChem CID:	80559792
Reduced:	SN3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	246.184447
ΔH_f, kcal/mol:	35.51
Dipole, Da:	1.89
IP(EA), eV:	-8.69(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(1-pyridin-2-ylpiperidin-4-yl)cyclobutane-1,3-diamine

Drug info:

PubChemData

Smile

CN(C)C(CNC1CC(C1)N)C2=CC=CS2

DOS

IR

Vibrations