Geometry & MOs

Info

ID:	367916
PubChem CID:	127326089
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-33.28
Dipole, Da:	2.96
IP(EA), eV:	-8.73(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-phenylpiperidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C3CCCN(C3=O)C4=CC=CC=C4)C

DOS

IR

Vibrations