Geometry & MOs

Info

ID:	367902
PubChem CID:	127326075
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	-5.79
Dipole, Da:	4.89
IP(EA), eV:	-8.61(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)piperidin-2-one

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C3CCCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations