Geometry & MOs

Info

ID:	138179
PubChem CID:	52324593
Reduced:	ClNC6H13 (1)
Stoich.:	ABC6D13 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	-17.78
Dipole, Da:	3.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754941
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(naphthalene-1-carbonyl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](C[C@@H](C1)Cl)[NH3+]

DOS

IR

Vibrations