Geometry & MOs

Info

ID:	381876
PubChem CID:	134972736
Reduced:	NC17H25 (1)
Stoich.:	AB17C25 (1)
Weight, g/mol:	273.122575
ΔH_f, kcal/mol:	35.58
Dipole, Da:	1.05
IP(EA), eV:	-8.62(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1,6-dimethyl-2,4-dihydrotriazolo[4,5-d]pyrimidine-5,7-dione

Drug info:

PubChemData

Smile

C[C@H](C[C@H](CC=C)N(C)CC=C)C1=CC=CC=C1

DOS

IR

Vibrations