Geometry & MOs

Info

ID:	174846
PubChem CID:	75822246
Reduced:	ON3C17H28 (1)
Stoich.:	AB3C17D28 (1)
Weight, g/mol:	351.218487
ΔH_f, kcal/mol:	-24.08
Dipole, Da:	3.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754562
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-6-pyridin-4-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1C2=CC=CN2CC[NH+]1CC(=O)NC3CCCCCC3

DOS

IR

Vibrations