Geometry & MOs

Info

ID:	202720
PubChem CID:	79715432
Reduced:	SN3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	41.95
Dipole, Da:	2.12
IP(EA), eV:	-8.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN(CC2CCNCC2)C3CC3

DOS

IR

Vibrations