Geometry & MOs

Info

ID:	393813
PubChem CID:	135021728
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	-142.19
Dipole, Da:	2.14
IP(EA), eV:	-8.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(phenylmethoxymethyl)-1-[4-[5-(phenylmethoxymethyl)triazol-1-yl]butyl]triazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1)C2=CC=C(C=C2)C3=CC(=C(N3)C)C(=O)OCC)C

DOS

IR

Vibrations