Geometry & MOs

Info

ID:	192810
PubChem CID:	78315281
Reduced:	ClO4N5C23H34 (1)
Stoich.:	AB4C5D23E34 (1)
Weight, g/mol:	220.107259
ΔH_f, kcal/mol:	-194.72
Dipole, Da:	3.6
IP(EA), eV:	-9.55(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-piperidin-1-yl-5,6-dihydrotriazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC(C)CN1C(C(C(=O)NC1=O)N(CC(C)C)C(=O)CCC(=O)NCC2=CC=C(C=C2)Cl)N

DOS

IR

Vibrations