Geometry & MOs

Info

ID:	156573
PubChem CID:	56371200
Reduced:	NO2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	438.263091
ΔH_f, kcal/mol:	-96.62
Dipole, Da:	3.75
IP(EA), eV:	-8.19(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)CC3=COC(=N3)C4=CC=CC=C4)OC

DOS

IR

Vibrations