Geometry & MOs

Info

ID:	296719
PubChem CID:	117590072
Reduced:	BrON5C16H18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	68.07
Dipole, Da:	6.02
IP(EA), eV:	-9.1(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylphenyl)-5-[2-(2-hydroxyethyl)piperidin-1-yl]triazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCO)C2=NN(N=C2C#N)C3=CC=C(C=C3)Br

DOS

IR

Vibrations