Geometry & MOs

Info

ID:	261740
PubChem CID:	103248553
Reduced:	NO2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	-192.99
Dipole, Da:	7.79
IP(EA), eV:	-9.44(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

COC1CCCC1NCC(=O)N2CCC(CC2)C(=O)O

DOS

IR

Vibrations