Geometry & MOs

Info

ID:	42491
PubChem CID:	8149616
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-53.44
Dipole, Da:	4.85
IP(EA), eV:	-7.87(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)[C@@H](C1=CC=CC=C1)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations