Geometry & MOs

Info

ID:	143331
PubChem CID:	53192272
Reduced:	N5C15H21 (1)
Stoich.:	A5B15C21 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	76.33
Dipole, Da:	2.32
IP(EA), eV:	-8.57(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,5-dimethoxyphenyl)methyl]-4-(4-propyl-1,2,4-triazol-3-yl)piperidine

Drug info:

PubChemData

Smile

C1CC1C2=NNC(=N2)C3CCN(CC3)CC4=CC=CN4

DOS

IR

Vibrations