Geometry & MOs

Info

ID:	305819
PubChem CID:	124970717
Reduced:	NO2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-129.69
Dipole, Da:	2.53
IP(EA), eV:	-9.21(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-[2-(dimethylamino)pyridin-4-yl]piperidin-1-yl]-(2-ethoxypyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2(CCOCC2)C(=O)N3CC[C@@]4(C3)CN(C(=O)CO4)C5=CC=CC=C5

DOS

IR

Vibrations