Geometry & MOs

Info

ID:	367907
PubChem CID:	127326080
Reduced:	N6C21H26 (1)
Stoich.:	A6B21C26 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	84.52
Dipole, Da:	2.6
IP(EA), eV:	-8.56(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-phenylpiperidin-2-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C)C(=N1)N3CCN(CC3)CC4=CC5=C(CCC5)C=C4

DOS

IR

Vibrations