Geometry & MOs

Info

ID:	237170
PubChem CID:	92717742
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	470.243024
ΔH_f, kcal/mol:	16.87
Dipole, Da:	4.14
IP(EA), eV:	-9.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dimethylphenyl)methyl]-5-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=C(N=N2)C(=O)N[C@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations