Geometry & MOs

Info

ID:	371854
PubChem CID:	131275768
Reduced:	NOC3H3 (3)
Stoich.:	ABC3D3 (3)
Weight, g/mol:	212.127326
ΔH_f, kcal/mol:	-0.9
Dipole, Da:	6.18
IP(EA), eV:	-9.24(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-4-ol

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CC#N)N)[N+](=O)[O-]

DOS

IR

Vibrations