Geometry & MOs

Info

ID:	137277
PubChem CID:	52182957
Reduced:	ON4C13H23 (1)
Stoich.:	AB4C13D23 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-35.34
Dipole, Da:	4.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.978137
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(1R)-2,2-dimethyl-1-phenylpropyl]piperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)NCCCNC1=CC=CC=[NH+]1

DOS

IR

Vibrations