Geometry & MOs

Info

ID:	305588
PubChem CID:	124960987
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	440.242356
ΔH_f, kcal/mol:	7.26
Dipole, Da:	5.19
IP(EA), eV:	-8.43(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(3S)-1-(2,5-dimethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CN([C@@H]1CCCN(C1)C2=CC=CC=N2)C(=O)CCC3=CN=CC=C3

DOS

IR

Vibrations