Geometry & MOs

Info

ID:	193841
PubChem CID:	78445838
Reduced:	NO2C23H40 (1)
Stoich.:	AB2C23D40 (1)
Weight, g/mol:	284.233802
ΔH_f, kcal/mol:	-101.36
Dipole, Da:	3.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.085567
Charge, e:	1

Chem-info

IUPAC name:

2,6-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCC(CC[NH2+]CC1=CC=C(C=C1)OC)C2CCOC(C2)(C)C

DOS

IR

Vibrations