Geometry & MOs

Info

ID:	292757
PubChem CID:	117358173
Reduced:	N2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	242.153147
ΔH_f, kcal/mol:	54.97
Dipole, Da:	3.48
IP(EA), eV:	-8.1(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CCCC2)C3=C(NN=C3)N

DOS

IR

Vibrations