Geometry & MOs

Info

ID:	332162
PubChem CID:	127250448
Reduced:	ON3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	21.89
Dipole, Da:	3.92
IP(EA), eV:	-8.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)CC(=O)N3CCOC(C3)C4=NC=C(C=C4)C5=CN=C(C=C5)N

DOS

IR

Vibrations