Geometry & MOs

Info

ID:	42489
PubChem CID:	8149614
Reduced:	N2O3C17H27 (1)
Stoich.:	A2B3C17D27 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-105.22
Dipole, Da:	5.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753850
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OC[C@@H](C[NH+]2CCC(CC2)C(=O)N)O

DOS

IR

Vibrations