Geometry & MOs

Info

ID:	417686
PubChem CID:	135102495
Reduced:	ClN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	348.168522
ΔH_f, kcal/mol:	27.84
Dipole, Da:	3.33
IP(EA), eV:	-9.01(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations