Geometry & MOs

Info

ID:	27446
PubChem CID:	821365
Reduced:	NO3C20H26 (1)
Stoich.:	AB3C20D26 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-53.5
Dipole, Da:	1.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.911313
Charge, e:	0

Chem-info

IUPAC name:

(3-ethoxyphenyl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[N+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)O)OC)OC)C

DOS

IR

Vibrations