Geometry & MOs

Info

ID:	305589
PubChem CID:	124960988
Reduced:	NOC6H8 (4)
Stoich.:	ABC6D8 (4)
Weight, g/mol:	440.242356
ΔH_f, kcal/mol:	-139.36
Dipole, Da:	5.45
IP(EA), eV:	-8.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)CC1=C(N=C(N=C1C)[C@H]2CCCN(C2)C(=O)C3=C(C=CC(=C3)OC)OC)C

DOS

IR

Vibrations