Geometry & MOs

Info

ID:	246414
PubChem CID:	103059573
Reduced:	S2N3C10H11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	78.71
Dipole, Da:	2.05
IP(EA), eV:	-8.48(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-aminooxan-3-yl)methyl]piperidin-2-yl]methanol

Drug info:

PubChemData

Smile

CNC1=NC=C(N=C1)CSC2=CC=CS2

DOS

IR

Vibrations