Geometry & MOs

Info

ID:	244647
PubChem CID:	99376200
Reduced:	ClN2O3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	374.256943
ΔH_f, kcal/mol:	-148.02
Dipole, Da:	4.28
IP(EA), eV:	-8.84(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H]1CCCN(C1)C(=O)[C@H](C)OC2=C(C=CC(=C2)C)Cl

DOS

IR

Vibrations