Geometry & MOs

Info

ID:	145323
PubChem CID:	53500165
Reduced:	N7C13H21 (1)
Stoich.:	A7B13C21 (1)
Weight, g/mol:	296.138559
ΔH_f, kcal/mol:	102.46
Dipole, Da:	6.95
IP(EA), eV:	-8.9(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperidin-3-ol

Drug info:

PubChemData

Smile

CN(C)C1(CCCCC1)CNC2=CN=CC3=NN=NN23

DOS

IR

Vibrations