Geometry & MOs

Info

ID:	140119
PubChem CID:	52651011
Reduced:	ON3C16H32 (1)
Stoich.:	AB3C16D32 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-65.43
Dipole, Da:	2.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755120
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](C[NH+](C1)CCNC(=O)N2CCC(CC2)C)C

DOS

IR

Vibrations