Geometry & MOs

Info

ID:	293622
PubChem CID:	117394546
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	-1.52
Dipole, Da:	1.34
IP(EA), eV:	-8.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-methyltriazol-2-yl)phenyl]methyl]piperidine

Drug info:

PubChemData

Smile

CCOC1=C2C(=C(C=C1)C3(CCCN3)C)C=CC=N2

DOS

IR

Vibrations